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如何绘制具有不同触觉的配体

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如何绘制具有不同触觉的配体

在有机金属化学中，绘制不与原子结合的配体很常见。常见的例子是二茂铁：

或蔡斯盐：

有人有接近此类结构的策略吗？

对于烯烃键，一种方法是， \chemfig{M-([2,0.5]=)([6,0.5]=} 但是这使得金属键延伸到双键的中心，而不是在它之前停止。

我更寻求一种通用的方法，而不是针对这些特定化合物的解决方案。

答案1

我不知道真正通用的方法。我通过使用不可见的键-[,,,,draw=none]来放置原子或确定其他键的接入点来解决这些类型的键。

二茂铁和类似的化合物不太容易处理chemfig，我的方法就更不通用了。到目前为止，我知道的唯一方法是从头开始绘制它们（但这样我就不需要经常（或永远）绘制茂金属了）。这是我最近用作在 chemieonline.de 上回答：

\documentclass{article}
\usepackage{chemfig}
\setcrambond{3pt}{}{}
\begin{document}

\chemfig{
  ?[a]>[:18,.8]-[:108,.8]-[4]
    (
      -[:-40,.65,,,draw=none]@{r1}-[2,,,,dotted]
      Fe
      -[2,,,,dotted]@{r2}-[:-130,.7,,,draw=none]
      ?[b]-[,,,,line width=3.5pt]>[:72,.8]-[:162,.8]-[:-162,.8]?[b,4]
    )
  -[:-108,.8]?[a,4]}
\chemmove{
  \draw (r1) ellipse (15pt and 8pt);
  \draw (r2) ellipse (15pt and 8pt);
}
\end{document}

在此处输入图片描述

当然，这些值需要调整（我偷懒了），但原则应该很清楚。我在这里所做的是：我使用 的chemfig钩子绘制了 cp 环?，并使用语法标记了中心（或者实际上只是在附近的某个地方） 。然后通过（基本上是 的包装器）@{<nodename>}访问这些节点以绘制椭圆。这至少需要两次编译。\chemmove\tikz[remember picture,overlay]

第二种方法比较简单。我只是使用上面提到的隐形键。这也适用于其他类似的化合物：

\documentclass{article}
\usepackage{chemfig}
\usepackage{chemmacros}% for formal charges
\definesubmol{inv}{-[,,,,draw=none]}
\begin{document}

\chemfig{
  H>[:-10]C(<:[:60]H)
   (-[:-14.5,2,,,draw=none]Pt(-[4,1.8])(<[:-120]Cl)(<:[:60]Cl|^{\fminus})-Cl)
   =[6]
  C(<[:-110]H)<:[:-20]H
}

\end{document}

在此处输入图片描述

答案2

二茂铁甲醇

你好，如果你不想进行双重编译，我画了一个二茂铁甲醇分子，\chemfig并且\tikz只需要一次编译。这是代码。

问候。

\documentclass{article}
\usepackage{chemfig,xstring}

\usepackage{tikz}
\usetikzlibrary{shapes,shadows,arrows,positioning,graphs}

\begin{document}

\begin{tikzpicture}

%Lineas de ayuda, cuadricula
%\draw [help lines] (0,0) grid (6,4);

%Anillo Superior
\node at (0.78,2.95) {\chemfig{
        <[:-25,1.176]
        (   
            -[0,0.01,,,line width=6.1pt,shorten <=-1.5pt,shorten >=-1.5pt]           
            >[:25,1.176] 
            -[:135,0.8] (
                    %Metanol
                    -[:30,1]-[:-35,1]OH
                    )
            -[180,1]
            -[:-135,0.8]
        )}};

%Anillo Inferior
\node at (0,0.3){\chemfig{
            -[:25,1.176]
        (            
            -[:-25,1.176]
            <[:-135,0.8]
            -[180,,,,line width=4.8pt,shorten <=-2.2pt,shorten >=-2.2pt]
            >[:135,0.8]            
        )}};

\draw [dashed]  (0,1.75) -- (0,2.9);
\draw [dashed]  (0,0.3) -- (0,1.3);
\draw (0,0.3) ellipse (0.75cm and 0.35cm);
\draw (0,2.85) ellipse (0.75cm and 0.35cm);
\node at (0,1.5) {\Large Fe};

\end{tikzpicture}

\end{document}

答案3

我用

\usepackage{chemfig}
  \setatomsep{14.4pt}
  \setdoublesep{2.6pt}
  \setbondstyle{line width=0.6pt}
  \setcrambond{2.0pt}{0.6pt}{2.5pt}
  \setbondoffset{1.6pt}
  \setarrowdefault{,1.0,}
  \renewcommand*\printatom[1]{{\fontfamily{arial}\fontsize{10}{12}\selectfont\ensuremath{\mathsf{#1}}}}

\chemfig
{
  <[:303.51,0.4476]@{r5}{}%
  -[:0,,,,line width=2pt]@{r6}{}%
  >[:56.49,0.4476]%
  -[:164.82,0.7741]%
  -[:195.18,0.7741]%
  -[:355,0.7472,,,draw=none]@{r1}{}-[2,0.70]%
  Fe
  -[2,0.85]@{r2}{\,}-[:175,0.7472,,,draw=none]
  <[:303.51,0.4476]@{r3}{}%
  -[:0,,,,line width=2pt]@{r4}{}%
  >[:56.49,0.4476](-X)%
  -[:164.82,0.7741]%
  -[:195.18,0.7741]
}
\chemmove
{
  \draw (r1) ellipse (6pt and 2pt);
  \draw (r2) ellipse (6pt and 2pt);
  \fill (r3) ellipse (1pt and 1.1pt);
  \fill (r4) ellipse (1pt and 1.1pt);
  \fill (r5) ellipse (1pt and 1.1pt);
  \fill (r6) ellipse (1pt and 1.1pt);
}
\chemfig
{
  -[:-303.51,0.4476]%
  -[:0,,,,]%
  -[:-56.49,0.4476](-[:-10]Z)%
  <[:-164.82,0.7741]@{r5}{}%
  >[:-195.18,0.7741]%
  -[:10,0.7472,,,draw=none]@{r1}{}-[2,0.70]%
  Fe
  -[2,0.85]@{r2}{\,}-[:175,0.7472,,,draw=none]
  <[:303.51,0.4476]@{r3}{}%
  -[:0,,,,line width=2pt]@{r4}{}%
  >[:56.49,0.4476](-Y)%
  -[:164.82,0.7741]%
  -[:195.18,0.7741]
}
\chemmove
{
  \draw (r1) ellipse (6pt and 2pt);
  \draw (r2) ellipse (6pt and 2pt);
  \fill (r3) ellipse (1pt and 1.1pt);
  \fill (r4) ellipse (1pt and 1.1pt);
  \fill (r5) ellipse (1pt and 1.3pt);
}
\chemfig
{
  -[:-303.51,0.4476]%
  -[:0,,,,]%
  -[:-56.49,0.4476](-[:-10]X)%
  <[:-164.82,0.7741]@{r5}{}%
  >[:-195.18,0.7741]%
  -[:10,0.7472,,,draw=none]@{r1}{}-[2,0.70]%
  Fe
  -[2,0.85]@{r2}{\,}-[:175,0.7472,,,draw=none]
  <[:303.51,0.4476]@{r3}{}%
  -[:0,,,,line width=2pt]@{r4}{}%
  >[:56.49,0.4476](
    -[:0]
    -[:-303.51,0.4476]%
    -[:0,,,,]%
    -[:-56.49,0.4476](-[:-10]Y)%
    <[:-164.82,0.7741]@{r10}{}%
    >[:-195.18,0.7741]%
    -[:10,0.7472,,,draw=none]@{r6}{}-[2,0.70]%
    Fe
    -[2,0.85]@{r7}{\,}-[:175,0.7472,,,draw=none]
    <[:303.51,0.4476]@{r8}{}%
    -[:0,,,,line width=2pt]@{r9}{}%
    >[:56.49,0.4476]
    -[:164.82,0.7741]%
    -[:195.18,0.7741]
  )%
  -[:164.82,0.7741]%
  -[:195.18,0.7741]
}
\chemmove
{
  \draw (r1)  ellipse (6pt and 2pt);
  \draw (r2)  ellipse (6pt and 2pt);
  \fill (r3)  ellipse (1pt and 1.1pt);
  \fill (r4)  ellipse (1pt and 1.1pt);
  \fill (r5)  ellipse (1pt and 1.3pt);
  \draw (r6)  ellipse (6pt and 2pt);
  \draw (r7)  ellipse (6pt and 2pt);
  \fill (r8)  ellipse (1pt and 1.1pt);
  \fill (r9)  ellipse (1pt and 1.1pt);
  \fill (r10) ellipse (1pt and 1.3pt);
}

看起来像这样：

FcX 和 1,1'-FcYZ

它的灵感来自于 ChemDraw 绘制茂金属的方式，并且它或多或少是 ACS 风格。

您可能需要编译该文档两次。

答案4

我制作了一个宏（基于上面的答案）它与 [12pt]{article} 配合使用效果很好；切换到 10pt 会使环稍微移动。当使用 revtex 样式而不是 article 时，也会有一些移动

%/**
% * @author Vladislav Malyshkin[电子邮件保护]
% * @version $Id: ferrocenemacro.tex,v 1.1 2020/12/10 12:37:34 mal Exp $
％* /
\documentclass[12pt]{文章}
\usepackage[activate={true,nocompatibility},final,tracking=true,kerning=true,spacing=true]{microtype}

\usepackage{chemfig}

\usepackage{tikz}
\usetikzlibrary{形状、阴影、箭头、定位、图表、计算}
% 来自 https://tex.stackexchange.com/questions/78275/how-to-draw-ligands-with-different-hapticities/78309#78309

\开始{文档}




\开始{tikzpicture}

%帮助线，cuadricula
%\draw [辅助线] (0,0) 网格 (6,4)；

%%%%%%%%%%%%%%%%%%% \ferrocenetwoargs 宏
\newcommand{\ferrocenetwoargs}[2]{
    \chemfig{(
        @{aleft} <[:-25,1.176]
        （   
            -[0,0.01,,,线宽=6.1pt,缩短<=-1.5pt,缩短>=-1.5pt]           
            >[:25,1.176]@{aright}({#1})
            -[:135,0.8]
            -[180,1]
            -[:-135,0.8]
            ））
            % 下环位置
            -[-90,2.2,,,绘制=无]
            （
             @{bleft}-[:25,1.176]
        （            
            -[:-25,1.176]@{明亮}({#2})
            <[:-135,0.8]
            -[180,,,,线宽=4.8pt,缩短<=-2.2pt,缩短>=-2.2pt]
            >[:135,0.8]
        ）
            ）
    }
    \chemmove{
% \draw (aleft) -- (aright);
% \draw (bleft) -- (明亮)；
      \坐标（ca）位于（$0.5*(aleft)+0.5*(aright)+(0,0.13)$）；
      \坐标（cb）位于（$0.5*(bleft)+0.5*(bright)+(0,-0.03)$）；
      \draw（cb）椭圆（0.75厘米和0.35厘米）；
      \draw（ca）椭圆（0.75厘米和0.35厘米）；
      \draw [dashed,-] (ca) -- node[fill=white] {\Large Fe} (cb);
}
}
%%%%%%%%%%%%%%%%%% \ferrocenetwoargs 宏结束

% 绘制示例
\节点位于（3,2）{
  \ferrocenetwoargs{-CH_3}{-[:10,1]-[:-35,1]OH}
  \ferrocenetwoargs{-CH_2-CH_3}{}
  \ferrocenetwoargs{}{-CH_2-CH_3}

};


\结束{tikzpicture}

\结束{文档}

看起来怎么样

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