Tetraiododiborane(4) (B2I4) is a Polymer Based on sp3 Boron in the Solid State

摘要

Abstract > Herein we present the first solid‐state structures of tetraiododiborane(4) (B <sub>2</sub> I <sub>4</sub> ), which was long believed to exist in all phases as discrete molecules with planar, tricoordinate boron atoms, like the lighter tetrahalodiboranes(4) B <sub>2</sub> F <sub>4</sub> , B <sub>2</sub> Cl <sub>4</sub> , and B <sub>2</sub> Br <sub>4</sub> . Single‐crystal X‐ray diffraction, solid‐state NMR, and IR measurements indicate that B <sub>2</sub> I <sub>4</sub> in fact exists as two different polymeric forms in the solid state, both of which feature boron atoms in tetrahedral environments. DFT calculations are used to simulate the IR spectra of the solution and solid‐state structures, and these are compared with the experimental spectra. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><Abstract Type =“Main”XML：Lang =“en”> <标题类型=“main”>抽象</ title> > 在本文中，我们介绍了四碘藻胺（4）的第一种固态结构（b <sub> 2 </ sub> 一世 <sub> 4 </ sub> ），这很长时间被认为存在于所有阶段中作为具有平面，三角硼原子的离散分子，如较轻的四氢硼烷（4）B. <sub> 2 </ sub> F <sub> 4 </ sub> ，B. <sub> 2 </ sub> CL. <sub> 4 </ sub> 和B. <sub> 2 </ sub> 布鲁斯 <sub> 4 </ sub> 。单晶X射线衍射，固态NMR和IR测量表明B <sub> 2 </ sub> 一世 <sub> 4 </ sub> 实际上存在于固态中的两种不同的聚合物形式，两者在四面体环境中具有硼原子。 DFT计算用于模拟溶液和固态结构的IR光谱，与实验光谱进行比较。 </ p> </摘要> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-19011/'>《Angewandte Chemie》</a> <b style="margin: 0 2px;">|</b><span>2020年第14期</span><b style="margin: 0 2px;">|</b><span>共5页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/1188.html" title="应用化学">应用化学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=boron&option=203" rel="nofollow">boron;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=density functional theory&option=203" rel="nofollow">density functional theory;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=diborane&option=203" rel="nofollow">diborane;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=halides&option=203" rel="nofollow">halides;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=solid-state structure&option=203" rel="nofollow">solid-state structure;</a> </p> <div class="translation"> 机译：硼;密度函数理论;二硼烷;卤化物;固态结构; 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