![在化学结构上绘制原子轨道](https://linux22.com/image/280489/%E5%9C%A8%E5%8C%96%E5%AD%A6%E7%BB%93%E6%9E%84%E4%B8%8A%E7%BB%98%E5%88%B6%E5%8E%9F%E5%AD%90%E8%BD%A8%E9%81%93.png)
有没有办法在结构中绘制原子轨道chemfig
?我想如果你看到我想要得到的,你就能更好地理解:
以下是我已完成的工作。如有任何改进,我将不胜感激。
\documentclass[a4paper,12pt,twoside,openright,titlepage]{book}
\usepackage{chemfig,chemmacros,chemnum,modiagram}
\usepackage[version=3]{mhchem}
\makeatletter
\def\CF@node@content{%
\expandafter\expandafter\expandafter
\printatom\expandafter\expandafter\expandafter
{\csname atom@\number\CF@cnt@atomnumber\endcsname}%
\ensuremath{\CF@node@strut}%
}
\makeatother
\chemsetup[chemformula]{format=\sffamily}
%\renewcommand*\printatom[1]{\ensuremath{\mathsf{#1}}}
\renewcommand*{\printatom}[1]{{\sffamily\cf{#1}}}
\setdoublesep{0.32500 em} % 'Bond Spacing'
\setatomsep{1.78500 em} % 'Fixed Length'
\setbondoffset{0.18265 em} % 'Margin Width'
\newcommand{\bondwidth}{0.06642 em} % 'Line Width'
\setbondstyle{line width = \bondwidth}
\begin{document}
\schemestart
\setbondoffset{0pt}
\chemsetup[orbital]{
overlay ,
opacity = 0.5 ,
p/scale = 1.25 ,
s/color = gray!50 ,
s/scale = 1.25
}
\chemfig{*6(-=(-(-[,.2,,,draw=none]\Lewis{0.,}\orbital{s}))-=(-[,.4,,,draw=none]\Lewis{0.,}{\orbital[half,angle=90]{p}})-=-)}
\arrow
\setbondoffset{0pt}
\chemsetup[orbital]{
overlay ,
opacity = 0.5 ,
p/scale = 1.25 ,
s/color = gray!50 ,
s/scale = 1.25
}
\chemfig{[:-60]*6(-=-(=)-(-[,.0,,,draw=none]\Lewis{0.,}\orbital{s})-(-[,.4,,,draw=none]\Lewis{0.,}{\orbital[half,angle=90]{p}})=)}
\arrow
\setbondoffset{0pt}
\chemsetup[orbital]{
overlay ,
opacity = 0.5 ,
p/scale = 1.25 ,
s/color = gray!50 ,
s/scale = 1.25
}
\chemfig{*6(-=(-\orbital{s})-=-=)}
\schemestop
\end{document}
答案1
最终结果,相当满意:
\documentclass{article}
\usepackage[T1]{fontenc}
\usepackage[english,italian]{babel}
\usepackage{graphicx}
\usepackage{chemfig,chemmacros,modiagram}
\usepackage[version=3]{mhchem}
\makeatletter
\def\CF@node@content{%
\expandafter\expandafter\expandafter
\printatom\expandafter\expandafter\expandafter
{\csname atom@\number\CF@cnt@atomnumber\endcsname}%
\ensuremath{\CF@node@strut}%
}
\makeatother
\chemsetup[chemformula]{format=\sffamily}
\renewcommand*{\printatom}[1]{{\sffamily\cf{#1}}}
\setdoublesep{0.32500 em}
\setatomsep{1.78500 em}
\setbondoffset{0.18265 em}
\newcommand{\bondwidth}{0.06642 em}
\setbondstyle{line width = \bondwidth}
\begin{document}
\begin{figure}\centerline{
\schemestart
\chemsetup[orbital]{
overlay,
opacity=.4,
p/scale=1.5,
p/half,
s/scale=1.3
}
\chemname{\chemfig[][scale=0.75]{*6(-=(-(-[,.2,,,draw=none]\Lewis{0.,}\orbital{s}))-=(-[-2,0.001,,,draw=none]{{\orbital{p}}})(-[2,.4,,,draw=none]\lewis{2.,})-=)}}{{\footnotesize A'': \textsigma\ap{1},\textpi\ap{1}}}
\arrow{<->}
\chemsetup[orbital]{
overlay,
opacity=.4,
p/scale=1.5,
p/half,
s/scale=1.3
}
\chemname{\chemfig[][scale=0.75]{[:-60]*6(-=-(=)-(-[-2,0.001,,,draw=none]{{\orbital{s}}})(-[0,.1,,,draw=none]\lewis{2.,})-(-[-2,0.001,,,draw=none]{{\orbital{p}}})(-[2,.4,,,draw=none]\lewis{2.,})=)}}{{\footnotesize A'': \textsigma\ap{1},\textpi\ap{1}}}
\arrow{<->}
\chemsetup[orbital]{
overlay,
opacity=.4,
p/scale=1.5,
p/half,
s/scale=1.3
}
\chemname{\chemfig[][scale=0.75]{*6(-=(-\orbital{s})-=(-[-2,0.001,,,draw=none]{{\orbital{p}}})(-[2,.6,,,draw=none]\lewis{2.,})(-[2,.4,,,draw=none]\lewis{2.,})-=)}}{{\footnotesize A': \textsigma\ap{2},\textpi\ap{0}}}
\schemestop
}
\end{figure}\end{document}