mhchemを使用した化学表記

作成中です - Mitsuhiro Yoshida (トーク)

The mhchem package provides commands for typesetting chemical molecular formulae and equations. mhchemパッケージは化学分子式および方程式をタイプセットするコマンドを提供します。

なぜmhchemなのですか? Why mhchem?

It is possible to display chemical formulae and equations using TeX mathematics mode. TeX数学モードを使用して化学式および方程式を表示することはできます。 However, it is rather cumbersome for a range or reasons. Different display conventions: uppercase letters are displayed in italics for mathematics, whereas element symbols are upright for chemistry. The complexities of supercript and subscript notation, ions and isotopes. Bonds, equilibrium reaction arrows etc. しかし、さまざまな理由でこれはかなり面倒です。表示規則の違い: 数学では大文字をイタリック体で表示するのに対して、化学では元素記号を直立で表示します。上付き文字および下付き文字、イオンおよび同位体の複雑な表記。結合、平衡反応矢印等。

mhchem拡張モジュールは化学式および方程式をより適応的に表示します。また化学式および方程式をより自然に入力できます。The mhchem extension allows a more adaptable display and more natural input of chemical formulae and equations. Moodleにおいてmhchem構文はHTMLエディタ (TinyMCEまたはAtto) またはAtto化学プラグイン (Atto方程式プラグインと同様) に直接テキスト入力できます。In Moodle, mhchem syntax can use text input directly into an HTML editor (TinyMCE or Atto) or by an Atto chemistry plugin (similar to the Atto equation plugin).

This is particularly useful for documenting isotopes, relative atomic and relative molecular mass, empirical and molecular formulae, balanced equations (full and ionic), equilibrium reactions and themodynamics. これは特に同位体、相対原子質量、相対分子質量、経験式、分子式、平衡方程式 (完全方程式およびイオン方程式)、平衡反応、熱力学を文書化するのに役立ちます。。

For more complex structural and displayed formulae (e.g. organic chemistry), homologous series and functional groups, you may also wish to consider a 'drawing' plugin such as the MarvinJS-based Chemical structures and reaction editor より複雑な構造式および表示式 (有機化学等)、相同系列および官能基については、MarvinJSベースのChemical structures and reaction editorのような「描画」プラグインを検討するのも良いでしょう。

インスト―レーション Installation

The mhchem package can be integrated with Moodle in one of two ways. mhchemパッケージをMoodleに統合するには2つの方法があります。The first, via MathJax is the simplest to set up and provides high quality rendering. 最初のMathJax経由はセットアップが最も簡単で高品質のレンダリングを提供します。However, MathJax rendering depends on client-side JavaScript processing by the browser and may be subject to significant delay, e.g. on some platforms (especially mobile) or for particularly complex maths/science expressions. しかし、MathJaxのレンダリングはブラウザによるクライアントサイドのJavaScript処理に依存しているため、いくつかのプラットフォーム (特にモバイル) または特に複雑な数学/科学式等では大幅な遅延が発生する可能性があります。Also, there may be conflicts between MathJax and other JavaScript libraries (e.g. in some third-party Moodle plugins). また、MathJaxと他のJavaScriptライブラリ間 (例えばいくつかのサードパーティのMoodleプラグイン) に競合があるかもしれません。In these cases, it may be advantageous to use the server-side TeX filter. After initial loading the TeX filter-generated images are cached, and so quick to display. このような場合、サーバサイドのTeXフィルタを使用するのが有利でしょう。最初の読み込みの後、TeXフィルタが生成した画像がキャッシュされた後、素早く表示されます。The TeX filter typically generates lower quality display (MathJax > SVG > PNG > GIF), though the new SVG output option in Moodle 2.8 approaches the quality of MathJax. Moodle2.8の新しいSVG出力オプションはMathJaxの品質に近づいていますが、TeXフィルタは一般的により低いクオリティの表示 (MathJax > SVG > PNG > GIF) を生成します。

In Moodle 2.8, it is possible to 'have the best of both worlds' by enabling the TeX and MathJax filters in parallel such that the TeX filter (particularly with SVG rendering) provides a fallback for MathJax, and vice versa.Moodle 2.8ではTeXフィルタおよびMathJaxフィルタを並列に有効にして、TeXフィルタ (特にSVGレンダリング) がMathJaxのフォールバックおよびその逆を提供することで「両方の長所を併せ持つ」ことが可能です。

MathJax経由 via MathJax

MathJax has become the de facto standard for displaying mathematics on the Web and since version 2.7 Moodle has a built-in MathJax loader filter. However, mhchem still needs to be added to the MathJax configuration.MathJaxはウェブ上で数学を表示するためのデファクトスタンダードになっています。バージョン2.7以降、MoodleにはMathJaxローダフィルタが組み込まれています。しかし、まだmhchemをMathJax設定に追加する必要があります。

In Administration > Site administration > Plugins > Filters > Mathjax > Local Mathjax installation, edit the Mathjax configuration to include mhchem.js in the TeX extensions: 管理 > サイト管理 > プラグイン > フィルタ > Mathjax > ローカルMathjaxインストールでMathjax 設定を編集してTeX拡張機能にmhchem.jsを含めます:

TeX: {extensions: ["AMSmath.js","AMSsymbols.js","mhchem.js","noErrors.js","noUndefined.js"]},

For Moodle 2.6 and earlier, MathJax, together with the mhchem extension, can be added to the site HEAD section in: Moodle 2.6およびそれ以前ではMathJaxはmhchemエクステンションと共にサイトHEADセクションに追加できます:

Administration > Site administration > Appearance > Additional HTML > Within HEAD 管理 > サイト管理 > アピアランス > 追加HTML > HEAD内

LaTeX経由 via LaTeX

It is also possible to add mhchem alongside LaTex on the Moodle server, and then use the Moodle TeX filter. You will need to install and configure the following binaries on the Moodle server. LaTexと一緒にmhchemをMoodleサーバに追加して、Moodle TeXフィルタも使用できます。以下のバイナリをMoodleサーバにインストールおよび設定する必要があります。

latex

dvips

および and either

dvisvg for SVG rendering (Moodle 2.8 and later) SVG レンダリング用dvisvg (Moodle 2.7およびそれ以前)

または or

convert for PNG/GIF rendering (Moodle 2.7 and earlier) PNG/GIFレンダリング用convert (Moodle 2.7およびそれ以前)

mhchem

インストールの詳細はサーバのオペレーティングシステムに応じて異なります。Installation details will depend on the server operating system. ほとんどのLinuxディストリビューションではバイナリおよび依存関係をインストールするために標準のパッケージマネージャを使用できます。例) Fedora 20のmhchemは次のコマンドでインストールできます: yum install texlive-mhchem Most Linux distributions can use their standard package manager to install the binaries and dependencies. e.g. For Fedora 20, mhchem can be installed with: yum install texlive-mhchem. Alternatively, you can use an appropriate LaTeX installation bundle, including mhchem, for Linux, Windows or Macintosh servers. あなたは代わりにLinux、Windows、Macintoshサーバ用のmhchemを含む適切なLaTeXインストールバンドルも使用できます。

Once installed, in your Moodle Administration > Site administration > Plugins > Filters > TeX notation > LaTeX renderer Settings, add the following to the existing LaTeX preamble: インストール後、あなたのMoodleの「管理 > サイト管理 > プラグイン > フィルタ > Tex表記法 > LaTeXレンダラ設定」で既存のLaTeXプリアンブルに以下を追加してください:

\usepackage{mhchem}

to give the following (or similar) preamble:

\usepackage[latin1]{inputenc} \usepackage{amsmath}

\usepackage{amsfonts}

\usepackage{mhchem} \RequirePackage{amsmath,amssymb,latexsym}

Atto化学エディタプラグイン Atto Chemistry editor plugin

Once the TeX and/or MathJax loader filters are configured to use mhchem, and enabled, mhchem expressions can be directly typed into Moodle using the built-in (TinyMCE or Atto) text editors, as detailed in subsequent sections. 一旦、TeXおよび/またはMathJaxローダフィルタがmhchemを使用するよう設定および有効にされた場合、mhchem式は以降のセクションで詳細に説明するように組み込み (TinyMCEまたはAtto) テキストエディタでMoodleに直接入力できます。

However, the Atto Chemistry editor plugin may also be convenient for users. This automatically wraps expressions within the required delimiters (e.g. \(\ce{...}\) and provides a set of tabbed toolbars and buttons for commonly used symbols, isotope format, reaction and equilibrium arrows etc. Element symbol buttons are arranged in a periodic table layout. It also incorporates some 'standard' TeX symbols (e.g greek and italic characters) that may be useful in a chemistry context.

Not quite a WYSIWYG chemistry editor, though still can simplify the construction of chemical equations and also act as a coding environment and aide-memoire for mhchem syntax.

Basics

Note that mhchem is not currently installed in this documentation wiki. Therefore, the chemical display of chemical formulae and equations is simulated and may not exactly correspond to rendering using mhchem, which is usually nicer!.

The default TeX delimiters are \[...\] or $$...$$ for displayed mathematics, and \(...\) for in-line mathematics. For mhchem the additional delimiter \ce{...} is required inside the mathematics delimeters i.e .\[\ce{...}\] or $$\ce{...}$$ for displayed chemical formulae, and \(\ce{...}\) for in-line chemical formulae. In the rest of this document the TeX delimiters are not explicitly shown.

$\mathrm {H_{2}O}$ \ce{ H2O }

$\mathrm {Sb_{2}O_{3}}$ \ce{ Sb2O3 }

$\mathrm {H^{+}}$ \ce{ H+ }

$\mathrm {CrO_{4}^{2-}}$ \ce{ CrO4^2- }

$\mathrm {AgCl_{2}^{-}}$ \ce{ AgCl2- }

$\mathrm {[AgCl_{2}]^{-}}$ \ce{ [AgCl2]- }

$\mathrm {Y^{99+}}$ \ce{ Y^{99}+ }

$\mathrm {H_{2}(aq)}$ \ce{ H2_{(aq)} }

$\mathrm {NO_{3}^{-}}$ \ce{ NO3- }

$\mathrm {(NH_{4})_{2}S}$ \ce{ (NH4)2S }

Amounts

Place amounts directly in front of a formula. A small space will be inserted automatically.

$\mathrm {2H_{2}O}$ \ce{ 2H2O }

$\mathrm {{\frac {\scriptstyle {1}}{\scriptstyle {2}}}H_{2}O}$ \ce{ 1/2H2O }

Isotopes

$\mathrm {{}_{90}^{227}Th^{+}}$ \ce{ ^{227}_{90}Th+ }

Although the above syntax works in most contexts, occasionally a leading pair of braces may be required \ce{ {}^{227}_{90}Th+ }

Fonts

When you are in a math environment (e.g. opened and closed with a \[...\], \(...)\ or $$...$$), you could simply use \ce to set content in an upright font. Remember: all variables—like V for volume—are set using an italic font, physical units and chemical elements are set using an upright font.

${\mathit {V}}\mathrm {_{H_{2}O}}$ $V_{\ce{H2O}}$

When used in text mode, \ce adapts to the current text font. You could simply write a formula in one of your section titles it would be set with the correct, no matter where is appears (sectiontitle, header, contents, references, ...).

$\mathrm {H_{2}O}$, $\mathrm {H_{2}O}$ \ce{ H2O }, $\ce{H2O}$

$\mathrm {Ce^{IV}}$ \ce{ Ce^{IV} }

There are some special cases. A negative charge (-) in text mode is replaced with a dash (–), because a text minus sign often is too short. All ‘operators’, e.g. ‘+’ and reaction arrows, are always taken from the math font.

Special Symbols

$\mathrm {KCr(SO_{4})_{2}\cdot 12H_{2}O}$ \ce{ KCr(SO4)2*12H2O }

$\mathrm {KCr(SO_{4})_{2}\cdot 12H_{2}O}$ \ce{ KCr(SO4)2.12H2O }

$\mathrm {[Cd\{SC(NH_{2})_{2}\}_{2}]\cdot [Cr(SCN)_{4}(NH_{3})_{2}]_{2}}$ \ce{ [Cd\{SC(NH2)2\}2].[Cr(SCN)4(NH3)2]2 }

$\mathrm {RNO_{2}^{-.}}$, $\mathrm {RNO_{2}^{-.}}$ $\ce{ RNO2^{-.}}$, \ce{RNO2^{-.} }

$\mu \!-\!\mathrm {Cl}$ \ce{ $\mu\hyphen$Cl }

Bonds

Horizontal bonds can be set using the characters -, = and # (single, double, triple bond) inside a formula (a - at the end of a formula yields a negative charge).

$\mathrm {C_{6}H_{5}\!-\!CHO}$ \ce{ C6H5-CHO }

$\mathrm {X\!=\!Y\!\equiv \!Z}$ \ce{ X=Y#Z }

$\mathrm {A\!-\!B\!=\!C\!\equiv \!D}$ \ce{ A\sbond B\dbond C\tbond D }

Different books visualise bonds in extremely different ways. Currently, the minus sign from the math font is used to display the bonds (even in text mode). The bonds are vertically aligned on the math axis. For most math fonts, this is lower than half the height of a capital letter.

The \bond command allows you to typeset some types of special bonds.

$\mathrm {A\!-\!B\!=\!C\!\equiv \!D}$ \ce{ A\bond{-}B\bond{=}C\bond{#}D }

$\mathrm {A\!\sim \!B\!\simeq \!C}$ \ce{ A\bond{~}B\bond{~-}C }

$\mathrm {A\!\cong \!B\!\cong \!C\!\cong \!D}$ \ce{ A\bond{~=}B\bond{~--}C\bond{-~-}D }

$\mathrm {A\!\cdots \!B\!\cdot \cdots \!C}$ \ce{ A\bond{...}B\bond{....}C }

$\mathrm {A\!\rightarrow \!B\!\leftarrow \!C}$ \ce{ A\bond{->}B\bond{<-}C }

Using Math

To use math commands inside \ce{...}, one can enclose the commands with $.

$\mathrm {Fe(CN)_{\frac {6}{2}}}$ \ce{ Fe(CN)_{$\frac{6}{2}$} }

$\mathrm {{\mathit {x}}Na(NH_{4})HPO_{4}{\overset {\Delta }{\rightarrow }}(NaPO_{3})_{\mathit {x}}+{\mathit {x}}NH_{3}\uparrow +{\mathit {x}}H_{2}O}$ \ce{ $x\,$ Na(NH4)HPO4 ->[\Delta](NaPO3)_{$x$} + $x\,$ NH3 ^ + $x\,$ H2O }

$\mathrm {CH_{4}(g)+2O_{2}(g)\rightarrow CO_{2}(g)+2H_{2}O(l)} \quad \Delta H_{\mathrm {c} }^{\ominus }=-890.3\;\mathrm {kJ} \;\mathrm {mol} ^{-1}$ \ce{ CH_4(g) + 2O_2(g) -> CO_2(g) + 2H_2O(l) $\quad \Delta H_\ce{c}^{\ominus} = -890.3 \;$ kJ $\;$ mol^{-1} }

Formulae

Reaction Arrows

$\mathrm {CO_{2}+C\rightarrow 2CO}$ \ce{ CO2 + C -> 2CO }

$\mathrm {CO_{2}+C\leftarrow 2CO}$ \ce{ CO2 + C <- 2CO }

$\mathrm {CO_{2}+C\rightleftharpoons 2CO}$ \ce{ CO2 + C <=> 2CO }

$\mathrm {H^{+}+OH^{-}{\overset {-\!-\!-\!\rightharpoonup }{\quad \scriptstyle {\leftharpoondown }\quad }}H_{2}O}$ \ce{ H+ + OH- <=>> H2O }

$A\leftrightarrow A'$ \ce{ $A$ <-> $A’$ }

$\mathrm {CO_{2}+C\;{\overset {\alpha }{\rightarrow }}\;2CO}$ \ce{ CO2 + C ->[\alpha] 2CO }

$\mathrm {CO_{2}+C\;{\underset {\beta }{\overset {\alpha }{\rightarrow }}}\;2CO}$ \ce{ CO2 + C ->[\alpha][\beta] 2CO }

As with ^ and _, the content above and below reaction arrows is set in math font. When you want to put descriptive text there, use the \text command. Or, as a shortcut, you could type a ‘T’ between reaction arrow and opening bracket.

$\mathrm {CO_{2}+C\;{\overset {above}{-\!\!\!\longrightarrow }}\;2CO}$ \ce{ CO2 + C ->[\text{above}] 2CO }

$\mathrm {CO_{2}+C\;{\underset {below}{\overset {above}{-\!\!\!\longrightarrow }}}\;2CO}$ \ce{ CO2 + C ->[\text{above}][\text{below}] 2CO }

$\mathrm {CO_{2}+C\;{\underset {below}{\overset {above}{-\!\!\!\longrightarrow }}}\;2CO}$ \ce{ CO2 + C ->T[above][below] 2CO }

Similarly, there is a shortcut for using \ce with reaction arrows:

$A\;\mathrm {\overset {H_{2}O}{\longrightarrow }} \;B$ \ce{ $A$ ->[\ce{+H2O} ] $B$}

$A\;\mathrm {\overset {H_{2}O}{\longrightarrow }} \;B$ \ce{ $A$ ->C[+H2O] $B$ }

Precipitate and Gas

Use v or (v) for precipitate (arrow down) and ^ or (^) for gas (arrow up), both separated by spaces.

$\mathrm {SO_{4}^{2-}+Ba^{2+}\rightarrow BaSO_{4}\downarrow }$ \ce{ SO4^2- + Ba^2+ -> BaSO4 v }

Watch Out!

Please be aware that you sometimes have to enclose spaces in braces. In particular, you have to do so, when they appear between brackets that belong to an reaction arrow.

$A\mathrm {\overset {\text{Enclose spaces!}}{\longleftarrow \!\!\!-\!\!\!-\!\!\!-\!\!\!-\!\!\!\longrightarrow }} A'$ \ce{ $A$ <->T[{Enclose spaces!}] $A’$ }

Further Examples

$\mathrm {Zn^{2+}{\underset {+2H^{+}}{\overset {+2OH^{-}}{\rightleftharpoons }}}{\underset {\text{amphoteric hydroxide}}{Zn(OH)_{2}\downarrow }}{\underset {+2H^{+}}{\overset {+2OH^{-}}{\rightleftharpoons }}}{\underset {\text{tetrahydroxozincate}}{[Zn(OH)_{4}]^{2-}}}}$

\ce{ Zn^2+ <=>[\ce{+ 2OH-}][\ce{+ 2H+}]$\underset{\text{amphoteric hydroxide}}{\ce{Zn(OH)2 v}}$<=>C[+2OH-][{+ 2H+}]$\underset{\text{tetrahydroxozincate}}{\cf{[Zn(OH)4]^2-}}$ }

$K=\mathrm {\frac {[Hg^{2+}][Hg]}{[Hg_{2}^{2+}]}}$

$K = \frac{[\ce{Hg^2+}][\ce{Hg}]}{[\ce{Hg2^2+}]}$

$\mathrm {Hg^{2+}\;{\overset {I^{-}}{\rightarrow }}\;{\underset {\text{red}}{HgI_{2}}}\;{\overset {I^{-}}{\rightarrow }}\;{\underset {\text{red}}{[Hg^{II}I_{4}]^{2-}}}}$

\ce{ Hg^2+ ->[\ce{I-}]$\underset{\mathrm{red}}{\ce{HgI2}}$->C[I-]$\underset{\mathrm{red}}{\ce{[Hg^{II}I4]^2-}}$ }

Further information

The mhchem package

mhchem manual

MathJax and mhchem