\bridge{1}, \dento{2} and \hapto{3} all give subscripts, when \dento{2} and \hapto{3} should be superscripts. This can be seen in the current version of the manual or in the example below.

MWE showing the problem:

\documentclass{article}
\usepackage{chemmacros}
\begin{document}

\ch{\hapto{3}}
\ch{\dento{2}}
 
\end{document}

Output:
chemmacrobugHaptoDento.pdf

Source:
IUPAC Red Book 2005. IR-10.2.5.2 The eta (η) convention. (Page 216) and IR-9.2.4.2 The kappa convention (page 155-156 [see example bottom pg 156])

While trying to answer this question Create a simple “scheme” environment and a “List of Schemes”, I stumbled upon \listofschemes resulting in a bunch of error messages when used in combination with the book class. The following MWE works perfectly fine with article, report, the KOMA-script classes (including scrbook) and memoir but results in the error messages quoted below, when used with book.

MWE:

\documentclass{book}

\usepackage{chemmacros}
\chemsetup{modules=scheme}

\begin{document}
\listofschemes
\end{document}

excerpt of the log file:

! Argument of \use:c has an extra }.
<inserted text> 
                \par 
l.7 \listofschemes
                  
I've run across a `}' that doesn't seem to match anything.
For example, `\def\a#1{...}' and `\a}' would produce
this error. If you simply proceed now, the `\par' that
I've just inserted will cause me to report a runaway
argument that might be the root of the problem. But if
your `}' was spurious, just type `2' and it will go away.

Runaway argument?
! Paragraph ended before \use:c was complete.
<to be read again> 
                   \par 
l.7 \listofschemes
                  
I suspect you've forgotten a `}', causing me to apply this
control sequence to too much text. How can we recover?
My plan is to forget the whole thing and hope for the best.

The above error messages were shown when compiling the MWE using an up to date MiKTeX (updated today).

While \iupac is supposed to add hyphens after closing parentheses when a line break is necessary, it also adds one between two closing parentheses:

MWE:

\documentclass[12pt, a4paper, twoside=semi, BCOR=10mm]{scrartcl}

\usepackage{chemmacros}
\chemsetup{modules={nomenclature}}

\NewDocumentCommand{\nbh}{}{\mbox{-}\nobreak\hspace{0pt}} %to avoid problematic \mbox{} in \iupac{}
\NewChemIUPACShorthand{=}{\nbh} %creates new shorthand to be used in \iupac{} for non-breaking hyphens

\begin{document}
\subsubsection{\iupac{ 4,4'=(((([1,1'=biphenyl]-4,4'=dicarbonyl)bis((ada|man|tan-1=yl)a|zane|di|yl))bis(carbonyl))bis(azanediyl))bis((2,2,6,6=tetra|me|thyl|pi|per|i|din-1=yl)oxi|da|nyl)}}
\end{document}

As stated in the manual, | within \iupac{} commands will prevent the generation of ligatures and also insert some extra spacing. May I ask why this is the case, e.g. what the actual benefit is?

\documentclass{article}
\usepackage{chemmacros}

\begin{document}
\iupac{1,3|-Di|chlo|ro|f|fbenz|ene}

1,3-Dichloroffbenzene
\end{document}

will produce

While the manual also describes how the extra spacing could be adjusted/deactivated:

\chemsetup{
	nomenclature/break-space=0em,
	nomenclature/hyphen-pre-space=0em,
	nomenclature/hyphen-post-space=0em,
}

I couldn't find an option to disable the prevention of ligatures. Is there a workaround?

BTW: There's a small typo in the manual of version 5.11; on page 14, it reads: 'The character = is printed ad \nonbreakinghyphen'

Hi!

In some edge cases an extra dash is inserted after \{element} macros:

\documentclass{article}
\usepackage{chemmacros}

\begin{document}

Compounds with very long names such as in this example somecharsab
\iupac{\N-(\emph{tert}-nonsense)butverylongnametoglycosylamines} sometimes
produce an extra dash due to hyphenation.

\end{document}

Not in this case however:

\documentclass{article}
\usepackage{chemmacros}

\begin{document}

Compounds with very long names such as in this example somecharsabc
\iupac{\N-(\emph{tert}-nonsense)butverylongnametoglycosylamines} sometimes
produce an extra dash due to hyphenation.

\end{document}

Chemmacros v5.11 2020/03/07

pdflatex -v pdfTeX 3.14159265-2.6-1.40.21 (TeX Live 2020)

or

lualatex -v This is LuaHBTeX, Version 1.12.0 (TeX Live 2020)

When using chemmacros with option formula=mhchem the \NMR command is not working.

MWE not working

\documentclass{report}

\usepackage[version=4]{mhchem}
\usepackage{chemmacros}

\chemsetup{
  modules = spectroscopy,
  formula = mhchem,
}

\begin{document}
  \begin{experimental}
    \NMR(600)[CDCl3] \val{2.01} (s, \#{24}, \pos{5}), \val{2.31} (s, \#{12}, \pos{1}), \val{6.72--6.74} (m, \#{2}, \pos{11}), \val{6.82} (s, \#{8}, \pos{3}), \val{7.05--7.07} (m, \#{2}, \pos{12}), \val{7.39--7.41} (m, \#{4}, \pos{9}), \val{7.48--7.49} (m, \#{4}, \pos{8}).
  \end{experimental}
\end{document}

Errormessage:

! Undefined control sequence.
<argument> \chemformula_ch:nV

However, when using chemformula it compiles without problems.

MWE working

\documentclass{report}

\usepackage{chemmacros}

\chemsetup{
  modules = spectroscopy,
}

\begin{document}
  \begin{experimental}
    \NMR(600)[CDCl3] \val{2.01} (s, \#{24}, \pos{5}), \val{2.31} (s, \#{12}, \pos{1}), \val{6.72--6.74} (m, \#{2}, \pos{11}), \val{6.82} (s, \#{8}, \pos{3}), \val{7.05--7.07} (m, \#{2}, \pos{12}), \val{7.39--7.41} (m, \#{4}, \pos{9}), \val{7.48--7.49} (m, \#{4}, \pos{8}).
  \end{experimental}
\end{document}

If parse=false is set in the spectroscopy module options, then it also compiles (but of course the solvent is not displayed as chemical formula).

It seems that \NMR is always calling \ch{<...>}, independent of the formula option.

Is there a way to override detection (cf. snippet) of float creation method (e.g. via an option in the scheme module?

I am currently forced to work with a scrbook implementation sr-vorl and do not manage to tweak the list of schemes to have the same formatting as the list of figures and list of tables. Adjust scheme numbering to within chapter (using the anyways loaded package chngcntr), successfully alters numbering, but the indent and numwidthdo not match.

\usepackage{chemmacros}

<...>

\chemsetup{
    modules = {
        nomenclature,
        reactions,
        redox,
        scheme,
        spectroscopy,
        units,
    },
    formula = mhchem,
}
\chemsetup[mhchem]{
    arrows = pgf-filled,
    textminus                    = {--},
    minus-text-sidebearing-left  = {0.04em},% For dashed bonds
    minus-text-sidebearing-right = {0.08em},% For dashed bonds
    minus-math-sidebearing-left  = {0.04em},
    minus-math-sidebearing-right = {0.08em},
}
\chemsetup[redox]{
    explicit-sign = true,
    explicit-zero-sign = true,
    decimal-marker = comma,
    roman = false,
    pos = top,
}
\chemsetup[spectroscopy]{
    format = \bfseries,
    pos-number=super,
}
\chemsetup[nomenclature]{
    coord-use-hyphen = {false},
}

<...>

\AtBeginDocument{\counterwithout{scheme}{chapter}}
\AtBeginDocument{\counterwithin{scheme}{chapter}}

Although, I guess the KOMA method should be used already in this case (using a KOMA class) and I don't really understand why the list of schemes does not fit the format.

I was hoping that using a different creation method would help me overcoming that issue.

Or would you advise to manually define the float before chemmacros gets to do it?

\DeclareNewTOC[
    type = scheme ,
    types = schemes ,
    float ,
    name = Scheme ,
    listname = {List of Schemes},
    counterwithin=chapter
]{scheme}

I would like to change the color of the oxidation numbers in some reactions like:

\documentclass{article}

\usepackage{chemformula}
\usepackage{chemmacros}
\usepackage[spanish]{babel}

\let\chold\ch % necesario para que ch ponga bien las flechas
\renewcommand\ch[1]{%
    \catcode`<=12
    \catcode`>=12
    \chold{#1}%
    \catcode`<=\active
    \catcode`>=\active
}
\chemsetup{
  formula = {chemformula} ,
  modules = {redox} 
}
\chemsetup[redox]{
roman = false ,
explicit-sign = true ,
pos = top
}
\begin{document}
\ch{"\ox{5,N}" O3^- + 1 e- + 2 H+ <=> "\ox{4,N}" O2 + H2O}
\end{document}

I use chemmacros (ox) to write the oxidation numbers, but there is no color option. Is there any way to change only the color of the oxidations numbers? Thanks in advance

Using one of the examples given in the manual, it no longer compiles, it was compiling up until yesterday. Is this possibly related to the chemmacros error but output ok I submitted on tex.stackexchange.com?

\documentclass{article}
\usepackage{chemmacros}
\begin{document}
\ch{
\OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b)[->,red]{ox}
}
\end{document}

I get the following errors:

ABD: EveryShipout initializing macros
./chemmacros2.tex:7: Undefined control sequence.
<argument> \chemformula_font_inner: \OX 
                                        {a,Na}\c_math_toggle_token \rightarr...
l.7 }

? 
./chemmacros2.tex:7: Undefined control sequence.
<argument> ...\l__chemformula_math_space_skip \OX 
                                                  {b,Na}\pch \redox (a,b)[\c...
l.7 }

? 
./chemmacros2.tex:7: Undefined control sequence.
<recently read> \redox 

l.7 }

? 
[1] (./chemmacros2.aux) )

Hello,

I have trouble compiling my tex file using chemmacros. It gives me the following error
`! Undefined control sequence.
NewChem\str_uppercase:f
{\tl_head:n {Charge}}\tl_tail:n {Charge}
l.122 ...hemmacros_new_charge_command:Nn #1 {#2} }

The control sequence at the end of the top line
of your error message was never \def'ed. If you have
misspelled it (e.g., \hobx'), type I' and the correct
spelling (e.g., `I\hbox'). Otherwise just continue,
and I'll forget about whatever was undefined.

! Undefined control sequence.
RenewChem\str_uppercase:f
{\tl_head:n {Charge}}\tl_tail:n {Charge}
l.122 ...hemmacros_new_charge_command:Nn #1 {#2} }

The control sequence at the end of the top line
of your error message was never \def'ed. If you have
misspelled it (e.g., \hobx'), type I' and the correct
spelling (e.g., I\hbox'). Otherwise just continue, and I'll forget about whatever was undefined.

And so on.
I don't know why it gives me errors like that. I'm using TexMaker and I've installed chemmacros using the miktex package manager.
Could someone help me ?

Thank you very much !
Have a nice day

The chemmacros package instantaneously loads the package bm. Unfortunately this breaks later font choices (see MWE below), which is an instrinsic limitation of the bm package and stated like this in its manual.

This means that it is best to load the package after any packages that define new symbol fonts, or (like the mathtime package) completely change the symbol font allocations.

There are two possibilities to rectify this issue:

1. Load bm via \AtBeginDocument{\RequirePackage{bm}}.
2. State that font selection has to be done prior to loading chemmacros in the manual.

MWE

\documentclass{article}
\usepackage{chemmacros}
\usepackage{mathpazo}
\begin{document}
$\bm{a}$ versus \boldmath$a$\unboldmath
\end{document}

Is there an easy way (other than \textit{b}) to input a lowercase italic letter inside a \iupac command? This is needed for fused ring systems: http://www.acdlabs.com/iupac/nomenclature/79/r79_63.htm#a_21__5 http://www.acdlabs.com/iupac/nomenclature/93/r93_74.htm

If not, consider this a feature request.

Hello,

I have some trouble with the chemmacros package. But those errors appeared only very recently.

Error Message is:

! Undefined control sequence.
<argument> ...@language@\@trnslt@current@language 

It appears when I try to knit my document with \documentclass{scrartcl} but not with \documentclass{article}.

MWE:

\documentclass{article}

% \usepackage{upgreek}
 \usepackage{chemmacros}

<<label = "RSetup", include=FALSE>>=
  opts_chunk$set(echo = FALSE, results = FALSE, cache = FALSE)
  opts_chunk$set(warning = FALSE, message = FALSE)
  opts_chunk$set(dev = "tikz",fig.width=6, fig.height=3, fig.pos='!htb', out.width='.99\\textwidth')
  knit_hooks$set(document = function(x) {sub('\\usepackage[]{color}', '\\usepackage{xcolor}', x, fixed = TRUE)}) ## knit_hook is added to supress warnings from xcolor package see https://github.com/yihui/knitr/issues/1068 for more information
@

\begin{document}

\section{S1}

<<firstplot>>=
plot(seq(1,10,1))
@

% \ch{C6H12O11}

\end{document}

The example above compiles fine.

\documentclass{scrartcl}

% \usepackage{upgreek}
 \usepackage{chemmacros}

<<label = "RSetup", include=FALSE>>=
  opts_chunk$set(echo = FALSE, results = FALSE, cache = FALSE)
  opts_chunk$set(warning = FALSE, message = FALSE)
  opts_chunk$set(dev = "tikz",fig.width=6, fig.height=3, fig.pos='!htb', out.width='.99\\textwidth')
  knit_hooks$set(document = function(x) {sub('\\usepackage[]{color}', '\\usepackage{xcolor}', x, fixed = TRUE)}) ## knit_hook is added to supress warnings from xcolor package see https://github.com/yihui/knitr/issues/1068 for more information
@

\begin{document}

\section{S1}

<<firstplot>>=
plot(seq(1,10,1))
@

% \ch{C6H12O11}

\end{document}

This one does not compile at all.

Do you have any idea why this is happening? Thanks for you support!

- Session info ------------------------------------------------------------------------------------------------------------------------------------------------------------
 setting  value
 version  R version 4.1.2 (2021-11-01)
 os       Windows 10 x64 (build 22000)
 system   x86_64, mingw32
 ui       RStudio
 language (EN)
 tz       Europe/Berlin
 date     2022-01-18
 rstudio  2021.09.0+351 Ghost Orchid (desktop)
 pandoc   NA

- Packages ----------------------------------------------------------------------------------------------------------------------------------------------------------------
 package     * version date (UTC) lib source
 cachem        1.0.6   2021-08-19 [1] CRAN (R 4.1.1)
 callr         3.7.0   2021-04-20 [1] CRAN (R 4.1.1)
 cli           3.1.0   2021-10-27 [1] CRAN (R 4.1.2)
 crayon        1.4.2   2021-10-29 [1] CRAN (R 4.1.1)
 desc          1.4.0   2021-09-28 [1] CRAN (R 4.1.1)
 devtools      2.4.3   2021-11-30 [1] CRAN (R 4.1.2)
 ellipsis      0.3.2   2021-04-29 [1] CRAN (R 4.1.1)
 fastmap       1.1.0   2021-01-25 [1] CRAN (R 4.1.1)
 fs            1.5.2   2021-12-08 [1] CRAN (R 4.1.2)
 glue          1.6.0   2021-12-17 [1] CRAN (R 4.1.2)
 lifecycle     1.0.1   2021-09-24 [1] CRAN (R 4.1.1)
 magrittr      2.0.1   2020-11-17 [1] CRAN (R 4.1.1)
 memoise       2.0.1   2021-11-26 [1] CRAN (R 4.1.2)
 pkgbuild      1.3.1   2021-12-20 [1] CRAN (R 4.1.2)
 pkgload       1.2.4   2021-11-30 [1] CRAN (R 4.1.2)
 prettyunits   1.1.1   2020-01-24 [1] CRAN (R 4.1.1)
 processx      3.5.2   2021-04-30 [1] CRAN (R 4.1.1)
 ps            1.6.0   2021-02-28 [1] CRAN (R 4.1.1)
 purrr         0.3.4   2020-04-17 [1] CRAN (R 4.1.1)
 R6            2.5.1   2021-08-19 [1] CRAN (R 4.1.1)
 remotes       2.4.2   2021-11-30 [1] CRAN (R 4.1.2)
 rlang         0.4.12  2021-10-18 [1] CRAN (R 4.1.1)
 rprojroot     2.0.2   2020-11-15 [1] CRAN (R 4.1.1)
 sessioninfo   1.2.2   2021-12-06 [1] CRAN (R 4.1.2)
 testthat      3.1.1   2021-12-03 [1] CRAN (R 4.1.2)
 usethis       2.1.5   2021-12-09 [1] CRAN (R 4.1.2)
 withr         2.4.3   2021-11-30 [1] CRAN (R 4.1.2)

Dear Clemens,

could you provide an option to label arrows in the reactions module?

(Perhaps following the syntax of chemformula:

\begin{reactions}
 A &->[a][b] B + C \\ 
 D + E &->[a][b] F
\end{reactions}

with a as the superscript and b the subscript of the arrow similar to:

\ch{A + B ->[a] C}

Regards,

Jakob

Hello
Thank you for this amazing package!
Would it be possible to add an option to include the number of the compound into the brackets, eg. name (number, mass, ...) as opposed to the current behaviour: name number (mass, ...)?

The mwe.tex

% arara: pdflatex

\documentclass{article}
\usepackage{chemmacros}
\chemsetup{
	compatibility/compatibility=5.10,
	modules={spectroscopy},
}

\begin{document}

The preferred NMR solvent is DMSO-d\textsubscript{6}. Could also be \ch{DMSO-d\textsubscript{6}}, but doesn't look nice. What about \ch{ "DMSO-d\textsubscript{6}" } or \ch[minus-output-symbol=-]{DMSO-d\textsubscript{6}}?

\begin{experimental}[list=true,format=\bfseries]
\NMR{31,P[^1H]}(162,\mega\hertz)[DMSO-d\textsubscript{6}]~[ppm] = 
\val{34.0}.
\end{experimental}

\begin{experimental}[list=true,format=\bfseries]
\NMR{31,P[^1H]}(162,\mega\hertz)[ "DMSO-d\textsubscript{6}" ]~[ppm] = 
\val{34.0}.
\end{experimental}

\end{document}

will produce

where the minus sign within the 31P-NMR line doesn't fit. I suppose that the sovent part within brackets is typeset as if it was put into \ch{}. That's why I tried to add "..." to escape text input - However, no luck yet. I also tried to alter minus-output-symbol as suggested in the manual but found no visual impact on the output...? Thanks for helping!

e/ Oops, now I posted this on chemformula where it better fits chemmacros, I guess. Can you move it to chemmacros or should I repost it to chemmacros...?

As I described in detail already at stackexchange (including a workaround), using the range-phrase option of the \SIrange-command of siunitx within a chemical equation (tested as top of an arrow) will cause errors.

used on MikTex
versions:
chemmacros: 5.11
siunitx: 2.8b
chemformula: 4.15j

Hej,

when I use Your great package (v6.2a 2022/03/11) together with hyerref (v7.00x 2023/04/22), both in the actual TeX Live 2023 distrib,, I get the warning
"I failed to patch \hyper@refstepcounter. Please contact the package author."

With other versions, e.g. TeX Live 2020 (ch... v.5.11, hy... v7.00d) this error don't occur.

Here ist the MWE:
`
\documentclass{article}
\usepackage{chemmacros}
%\chemsetup{modules=reactions}% for TL2020
\usepackage{hyperref}

\begin{document}

\begin{reaction}
A + B <<=> AB
\end{reaction}

\end{document}
`

Hello,

\documentclass{article}
\usepackage{fourier}
\usepackage{chemmacros}
\usepackage[version=4]{mhchem}
\usepackage{chemfig}
\begin{document}
\chemfig{H-[:0]C(=[:60]\charge{30=|,120=|}{O})-[:-60]\charge{30=|,-60=|,-150=|,-25:8pt={$\fscrm$}}{O}}
\end{document}

With this example, I have a bug when mhchem is loaded.

Any idea ?

I use TexLive 2022

Best regards

Hi,

I'm trying to use your package with different fonts setup in XeLaTeX. Unfortunately I think it looks somewhat ugly when I use $\pH$ and similar commands. It doesn't seem to change to one font but rather use different ones.

The code

%!TEX TS-program = xelatex

\documentclass{article}

% Load packages for fonts and unicode
\usepackage{fontspec,xltxtra,xunicode}

% Load math packages
\usepackage{amsmath}
\usepackage{amssymb}
\usepackage{unicode-math}

% Set language
\usepackage[ngerman]{babel}

\setmainfont{TeX Gyre Heros}
\setsansfont{TeX Gyre Heros}
\setmonofont{TeX Gyre Cursor}

% These commands doesn't seem to change anything related to the problem
\setmathfont{TeX Gyre Bonum}

\SetMathAlphabet\mathrm{normal}{TU}{TeX Gyre Bonum}{m}{n}
\SetMathAlphabet\mathbf{normal}{TU}{TeX Gyre Bonum}{bx}{n}
\SetMathAlphabet\mathit{normal}{TU}{TeX Gyre Bonum}{m}{it}

\usepackage{chemmacros}
\begin{document}


\(\pH\)

\(\pOH\)

\(\Ka\)

\(\Kb\)

\(\pKa\)

\(\pKb\)

\vspace{1em}

\pH

\pOH

\Ka

\Kb

\pKa

\pKb


\end{document}

The result

I believe the symbol for the torr unit should be Torr. The units module define it as
\DeclareSIUnit {\torr } {torr}
whereas it should be
\DeclareSIUnit {\torr } {Torr}

The IUPAC green book says

The current manual (v5.8b 2017/08/28) explains the use of the \DeclareChemTranslation macro on page 31 (section 6.5.2). It states:

\DeclareChemTranslation{language}{key}{translation}

In the table with available translation keys (Table 3 on page 31) the keys scheme-name, scheme and Scheme are listed, among many others.

However, given the following MWE (see https://tex.stackexchange.com/questions/494010/chemmacros-scheme-translation):

\documentclass{article}
\usepackage[utf8]{inputenc}
\usepackage[spanish]{babel}

\usepackage{chemmacros}
\chemsetup{modules={scheme}}

\DeclareChemTranslation{spanish}{scheme-name}{Esquema} % 1
\DeclareChemTranslation{scheme-name}{spanish}{Esquema} % 2
\DeclareChemTranslation{spanish}{scheme}{Esquema}      % 3
\DeclareChemTranslation{scheme}{spanish}{Esquema}      % 4

\begin{document}

    \begin{scheme}
        \caption{Lorem ipsum}
    \end{scheme}

\end{document}

Variant 1 and 3, which should be valid according to the manual, fail with an error ! Package translations Error: Unknown language `scheme-name'. and Unknown language `scheme'. In

% #1: key
% #2: lang
% #3: translation

but the code the call to \declaretranslation uses the arguments in the order 2, 1, 3. So maybe the manual should be updated, or the code, I'm not sure what would be the easiest or best solution.

For the other two variants in the MWE the redefinition of scheme does not work, there are no errors but the caption of scheme environments remains in English, or in German if that is the language of the document. The variant that redefines scheme-name works as expected (no errors and the caption changes). Possibly the manual could clarify which translation key should be used?

Attempting to set the sticky-per option of siunitx at any time before or after loading chemmacros causes one of several errors. Either there's an option conflict, or the package's use of \per causes a duplicate-sticky-per error.

I'm not sure if there's any solution given the lack of proper namespacing in LaTeX, but it might be at least worth documenting.

There seems to be a bug regarding the compatibility between the nomenclature module and the subfiles package. While the main document compiles with the module, the subfile does not. It seems like this is only a problem with the nomenclature module as other modules work fine.

Versions: chemmacros 45164 (5.8b), subfiles 26645 (1.1) with latex/pdflatex/xelatex

MWE

main.tex

\documentclass[]{article}

\usepackage{subfiles}
\usepackage{upgreek}
\usepackage{chemmacros}

\begin{document}
	\subfile{sub}
\end{document}

sub.tex

\documentclass[main.tex]{subfiles}

\begin{document}
	% commands working in both documents
	\pH
	\insitu 
	\ch{A -> B}
	\iupac{abc}
	\iupac{ab\chemgamma}
	
	% commands working only in main document
	\dexter
	\iupac{abc^1}
	\iupac{ab-c}
	\iupac{ab(c)}
	\iupac{ab[c]}
\end{document}

Output from sub.tex

! Undefined control sequence.
l.12	\dexter

and analogously for the rest of the control sequences.

So for my thesis i changed the numbering of Equations to look like "Eq. 2.2-1" (Eq. chapter.section - 1).
I did this with the command \renewcommand{\theequation}{Eq.\,\thesection-\arabic{equation}}.
After changing this, I realized that my tags for reactions also have changed.
Also I can't change the look of them with
\renewcommand{\thereaction}{R. \thesection-\arabic{reaction}} which was able at the beginning of my writing.

Is there anything I'm missing?

The use of the either packages chemformula or chemmacros with beamer triggers the error:

(/home/rafapa/texlive/2019/texmf-dist/tex/latex/koma-script/scrlfile.sty

LaTeX Warning: Command \InputIfFileExists has changed.
Check if current package is valid.

LaTeX Warning: Command \InputIfFileExists has changed.
Check if current package is valid.

)
(/home/rafapa/texlive/2019/texmf-dist/tex/latex/filehook/filehook-scrlfile.sty

! Package filehook Error: Detected 'scrlfile' package with unknown definition o
f \InputIfFileExists.
Use the 'force' option of 'filehook' to overwrite it..

See the filehook package documentation for explanation.
Type H <return> for immediate help.
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l.111 ... option of 'filehook' to overwrite it.}{}
\%

I attach an example. If you comment \usepackage{chemmacros} there is no error message.
Sincerely,
Rafael

\documentclass[t,pdf,xcolor=pdftex,dvipsnames,table,10pt]{beamer}

\usepackage{chemmacros}

\usepackage[T1]{fontenc}      % european characters
\usepackage[utf8]{inputenc}


% here you define the information that will be displayed in the title/cover page
\title[QFI]{Química Física I}
\author[Rafael R. P.]{{\LARGE Tema 3}}
\institute[QF, Univ. de Sevilla]{\Large Introducción a los sistemas multicomponentes}
\date{Grupo 4\\Curso 2019-2020}

\begin{document}
\begin{frame}[shrink=15]%,plain]
\titlepage
\begin{block}{3.  Introducción a los sistemas multicomponentes. (4 horas)}
\begin{itemize}
\item El volumen molar parcial.
\item Propiedades molares parciales.
\end{itemize}
\end{block}
\end{frame}

\end{document}

Is there a way to change the range-phrase for every experimental environment, without changing it in the whole document?

If not, I think an option to do so would be quite handy, and more practical than adding \sisetup{range-phrase = <newrangephrase>} in every experimental environment (especially considering consistency).

I get a warning message with the following document. The output is however correct.

\documentclass{article}
\usepackage{chemmacros}
\usepackage{textgreek}

\begin{document}
\ch{\isotope{U} ->[\textalpha] \isotope{234,Th} ->[\textbeta] \isotope{234,Pa} ->[\textbeta] \isotope{234,U}}
\end{document}

Package chemmacros Warning: The isotope \chemformula_subscript:n
(chemmacros)                {2}\chemformula_subscript:n
(chemmacros)                {3}\chemformula_subscript:n {4} is not defined for
(chemmacros)                element Th.

The manual says:

I'm pretty sure™ that (2S,3S) and (2E,4Z) should be (2_S_,3_S_) and (2_E_,4_Z_) instead, respectively, so that the locant numbers are printed in roman. This resource seems to confirm my opinion, see page 17 and 19, for example.

See https://tex.stackexchange.com/q/447242/35864

Since the three pre-defined Latin phrases are only defined in \AtBeginDocument, the way to redefine them can be quite unintuitive.

\documentclass{article}
\usepackage{chemmacros}
\RenewChemLatin\insitu{in-situ}
\begin{document}
  \insitu
\end{document}

Throws an unexpected error. Replacing \RenewChemLati with \NewChemLatin does not help either.

Maybe the documentation could mention the \AtBeginDocument or (I like that even better) the definition could be made in the normal flow of code and not in \AtBeginDocument.

I came across the following problem:

Line breaking after parentheses adds a hyphen of course. However, when a hyphen is already present in this position, a redundant hyphen is still produced.

\documentclass{scrbook}

\usepackage{chemmacros}
\chemsetup{modules={nomenclature}}

\begin{document}
\huge\iupac{SomeVeryLongNameWithParentheses-(Followed)-ByHyphens}
\end{document}

An example for where this occurred was [1,1'-biphenyl]-4,4'-dicarboxylic acid.

\documentclass[a4paper,twoside,10pt]{report}
\usepackage{chemmacros}
\begin{document}
Einbinden funktioniert nicht.
\end{document}

Alleine das Einbinden des Paketes erzeugt über 100 Fehler bei einem Lauf mit MikTex.

! Undefined control sequence.
Chem\str_upper_case:f
{\tl_head:n {alpha}}\str_lower_case:f {\tl_...
l.449 \chemgreek_drop_symbols:

The control sequence at the end of the top line
of your error message was never \def'ed. If you have
misspelled it (e.g., \hobx'), typeI' and the correct
spelling (e.g., `I\hbox'). Otherwise just continue,
and I'll forget about whatever was undefined.

The locants (numbers) in stereodescriptors made with \cip are typeset in an italic font, but these should be upright, as IUPAC does in its preferred names (page 23 and others).

MWE reproducing this (it is also visible on pages 18-19 of the manual):

\documentclass{article}
\usepackage{chemmacros}
\begin{document}
\cip{2R,3S}
\end{document}

The following example does not work

\documentclass{beamerswitch}
\usepackage{upgreek}
\usepackage{chemmacros}
\usepackage[T1]{fontenc}      % european characters
\usepackage[utf8]{inputenc}

\begin{document}
\begin{frame}[shrink=15]%,plain]
\ch{Zn} and \ch{Cu\chemprime}
\end{frame}
\end{document}

just changing beamerswitch to beamer does work.
The error message is

! Undefined control sequence.
<argument> ...formula_atom_format_tl Cu\chemprime 
                                                  \group_end: }
l.10 \end{frame}

I do not understand why \chemprime is not defined when using beamerswitch.
Thanks for the attention,
Rafael RP

While working on this answer, I found an inconsistency in the counter representation/dependencies (per chapter vs. continuous) as well as in the "chapter gap" in schemes and \listofschemes as compared to figure/table and \listoffigures/\listoftables in different documentclasses.

Using the report class, figures/tables are by default numbered per chapter and the \listoffigures/\listoftables contains a larger vertical white space between figures/tables of different chapters than between figures/tables of the same chpter ("chapter gap"). Schemes on the other hand, are numbered continuously and no chapter gap is present in the \listofschemes.

Changing the scheme numbering style from continuous to per chapter using \AtEndPreamble{\numberwithin{scheme}{chapter}} corrects the numbering style to the expected one, but still leaves us with no gap in the \listofschemes. Using
\usepackage{xpatch}\makeatletter\xapptocmd{\@chapter}{\addtocontents{los}{\protect\addvspace{10\p@}}}{}{}\makeatother,
I can add the missing gap back in, however, I would have expected the \listofschemes to look like the \listoffigures initially and without having to do thouse changes.

Interestingly, when using memoir, the schemes are already numbered within the chapter, as expected, however, the chapter gap is missing here, as well.

Taking a look at the KOMA-script classes, we get the opposite result: Using scrbook or scrreprt, the chapter gap is correctly present, and also correctly responds to adding listof=nochaptergap as a class option, as well. On the other hand, the numbering scheme is again continuous instead of per chapter.

MWE:

\documentclass{report} % schemes numbered continuously instead of per chapter, chapter gap in listofschemes missing
%\documentclass{scrbook} % schemes numbered continuously instead of per chapter, chapter gap in listofschemes present
%\documentclass{memoir} % schemes numbered per chapter,  chapter gap in listofschemes missing
\usepackage{chemmacros}
\chemsetup{modules=scheme}

\begin{document}

\listoffigures
\listoftables
\listofschemes

\chapter{first chapter}

\begin{figure}\caption{figure}\end{figure}
\begin{figure}\caption{figure}\end{figure}

\begin{table}\caption{table}\end{table}
\begin{table}\caption{table}\end{table}

\begin{scheme}\caption{scheme}\end{scheme}
\begin{scheme}\caption{scheme}\end{scheme}

\chapter{second chapter}

\begin{figure}\caption{figure}\end{figure}
\begin{figure}\caption{figure}\end{figure}

\begin{table}\caption{table}\end{table}
\begin{table}\caption{table}\end{table}

\begin{scheme}\caption{scheme}\end{scheme}
\begin{scheme}\caption{scheme}\end{scheme}

\end{document}
 

According to my investigations, this should be (partially) fixable by adding

\counterwithin {#1} {chapter} to the definition of \chemmacros_define_float_method:nnn {KOMA}

and

\renewcommand{\insertchapterspace}{%
\addtocontents{lof}{\protect\addvspace{10pt}}%
\addtocontents{lot}{\protect\addvspace{10pt}}%
\addtocontents{los}{\protect\addvspace{10pt}}%
}

to the definition of \chemmacros_define_float_method:nnn {memoir}.

As the package bm is not compatible with some packages such as unicode-math while the package amsmath being not whose functions are realized basically normally, would it be a more user-friendly choice to use \RequirePackage{amsmath} instead of \RequirePackage{bm}? For users of XeLaTeX, bm is not so desirable.

Thanks for the attention.

(from here: https://tex.stackexchange.com/q/518398/134574)

Due to a bad timing between achemso and chemmacros, the following
document errors:

\documentclass{achemso}
\usepackage{chemmacros}
\title{Study of \iupac{1,2-di|methyl|benzene}}
\begin{document}
\end{document}

because achemso appends \maketitle to \document, and only then
chemmacros (loads etoolbox and) officially starts the document. Then,
since the document is not tarted at the time \maketitle is used, the -
(and other symbols) are not defined when \iupac is used in the title, thus
they error.

It seems to me that it wouldn't harm to do
\bool_set_true:N \l__chemmacros_in_document_bool in the definition of
\chemmacros_iupac:nn, probably somewhere here:

so that all definitions are there when needed. I don't think this would be
a problem since at this point typesetting is already allowed, and if \iupac
were to be used before that, then the Missing \begin{document} error
would kick in.

Using

\documentclass{article}
\usepackage[T1]{fontenc}
\usepackage[utf8]{inputenc}
\usepackage{lmodern}

\usepackage{chemmacros}
\chemsetup{modules={spectroscopy}}

\begin{document}

\begin{experimental}
	\NMR{1,H}(400,\mega\hertz)[CDCl3]~[ppm] = \val{8.69} (\pos{8}).
	
	\NMR{1,H}(400,\mega\hertz)[CDCl3]~[ppm] = \val{8.69} (\pos{8A}).
	
	\NMR{1,H}(400,\mega\hertz)[CDCl3]~[ppm] = \val{8.69} (\pos{8\(_A\)}).
\end{experimental}

\end{document}

produces

As alphabetical characters are regularly required to denote e.g. diastereotopic nuclei or equatorial/axial H atoms of cyclohexyl groups, it would be very convenient to have \pos accept those as well.

Hey there,
I found an error in the chemmacros package. The bool variable \l__chemmacros_hyperref_bool is not defined, but asked in the reaction module. Due to changes in expl3 (or something, I don´t remember) this creates errors now.

Hello,

The \ch command works well in chemmacros package, but if there is Chinese bracket after the \ch command there is distortion of the symbol before that.

Please use XeLaTeX engine:

\documentclass{article}
\usepackage{chemmacros,ctex}
\begin{document}
\ch{^{34}SO2}\par
\isotope*{34,S}\ch{O2}（Chinese bracket）\par
\isotope*{34,S}\ch{O2} （Chinese bracket）
\end{document}

Please see the link. @qinglee @leo-liu @Liam0205

Best regards.

From the v6.1 manual, page 21, pos=sub causes a problem:

\documentclass{article}

\usepackage{chemmacros}

\begin{document}


\chemsetup[phases]{pos=sub}

\ch{D\sld{} + 2 H2O\lqd{} -> CO2\gas{} + 2 H2\gas}

\ch{H2O "\lqd[\SI{5}{\celsius}]"}

\end{document}