The nature of the chemical bond in borazine (B        <sub >3</sub>3        N        <sub >3</sub>3        H        <sub >6</sub>6        ), boroxine (B        <sub >3</sub>3        O        <sub >3</sub>3        H        <sub >3</sub>3        ), carborazine (B        <sub >2</sub>2        N        <sub >2</sub>2        C        <sub >2</sub>2        H        <sub >6</sub>6        ), and related species

Kalemos Apostolos

摘要

Abstract > The bonding problem in borazine (B <sub>3</sub> N <sub>3</sub> H <sub>6</sub> ), boroxine (B <sub>3</sub> O <sub>3</sub> H <sub>3</sub> ), and carborazine (B <sub>2</sub> N <sub>2</sub> C <sub>2</sub> H <sub>6</sub> ) is successfully addressed through the consideration of the excited states of the constituent fragments, namely BH( <mat:math display="inline" altimg="urn:x-wiley:00207608:media:qua25650:qua25650-math-0001" wiley:location="equation/qua25650-math-0001.png"> <mat:mrow> <mat:mi mathvariant="normal">a</mat:mi> <mat:mmultiscripts> <mat:mi mathvariant="normal">Π</mat:mi> <mat:mprescripts/> <mat:none/> <mat:mn>3</mat:mn> </mat:mmultiscripts> </mat:mrow> </mat:math> ), NH( <mat:math display="inline" altimg="urn:x-wiley:00207608:media:qua25650:qua25650-math-0002" wiley:location="equation/qua25650-math-0002.png"> <mat:mrow> <mat:mi mathvariant="normal">A</mat:mi> <mat:mmultiscripts> <mat:mi mathvariant="normal">Π</mat:mi> <mat:mprescripts/> <mat:none/> <mat:mn>3</mat:mn> </mat:mmultiscripts> </mat:mrow> </mat:math> ), and CH( <mat:math display="inline" altimg="urn:x-wiley:00207608:media:qua25650:qua25650-math-0003" wiley:location="equation/qua25650-math-0003.png"> <mat:mrow> <mat:mi mathvariant="normal">a</mat:mi> <mat:mmultiscripts> <mat:mi mathvariant="normal">Σ</mat:mi> <mat:mprescripts/> <mat:none/> </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”> <标题类型=“main”>抽象</ title> >硼嗪的键合问题（b <sub> 3 </ sub> n <sub> 3 </ sub> h < Sub> 6 </ sub>），硼氧胺（B <sub> 3 </ sub> O <sub> 3 </ sub> h <sub> 3 </ sub>），糖碱（b <sub> 2 </通过考虑组成片段的激发状态，成功地解决了Sub> N <sub> 2 </ sub> c <sub> 2 </ sub> h <sub> 6 </ sub>），即bh（<mat ：数学显示=“内联”Altimg =“URN：X-Wiley：00207608：媒体：Qua25650：Qua25650-Math-0001”Wiley：Location =“等式/ Qua25650-Math-0001.png”> <MAT：MROW> < Mat：Mi Mathvariant =“正常”> A </ MAT：MI> <MAT：MMULTISCRIPTS> <MAT：MI Mathvariant =“普通”>π</ MAT：MI> <MAT：MPRescripts /> <MAT：NONE /> <mat：mn> 3 </ mat：</ mat：mmultiscripts> </ mat：mrow> </ mat：math>），nh（<mat：math显示=“内联”altimg =“urn：x-wiley：00207608：媒体： Qua25650：Qua25650-Math-0002“Wiley：位置=”等式/ Qua25650-Math-0002.png“> <MAT：MROW> <MAT：MI MathVariant =”Normal“> A </ MAT：MI> <MAT：MMULTIScripts > <mat：mi mathvariant =“正常”>π</ mat：mi> <mat：mprescripts /> <mat：none /> <mat：mn> 3 </ mat：mn> </ mat：mmultiscripts> </ MAT：MROW> </ MAT：MATH>）和CH（<MAT：MATH DISPLAY =“内联”ALTIMG =“URN：X-WIley：00207608：媒体：QUA25650：QUA25650-MATH-0003”WIley：Location =“等式/ Qua25650-Math-0003.png“> <MAT：MROW> <MAT：MI MathVariant =”正常“> A </ MAT：MI> <MAT：MMULTIScripts> <MAT：MI Mathvariant =”普通“>σ< / mat：mi> <mat：mprescripts /> <mat：none /> </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-21753/'>《International Journal of Quantum Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第16期</span><b style="margin: 0 2px;">|</b><span>共9页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kalemos Apostolos&option=202" target="_blank" rel="nofollow">Kalemos Apostolos;</a> </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"> <p>Department of Chemistry Laboratory of Physical ChemistryNational and Kapodistrian University of AthensPanepistimiopolis Athens 157 71 Hellas;</p> </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/1186.html" title="物理化学（理论化学）、化学物理学">物理化学（理论化学）、化学物理学;</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=ab initio&option=203" rel="nofollow">ab initio;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=borazine&option=203" rel="nofollow">borazine;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=boroxine&option=203" rel="nofollow">boroxine;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=carborazine&option=203" rel="nofollow">carborazine;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=chemical bonding&option=203" rel="nofollow">chemical bonding;</a> </p> <div class="translation"> 机译：AB Initio;硼嗪;硼嗪;糖氮杂;化学键合; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704019755797.html">The nature of the chemical bond in borazine (B <sub >3</sub>3 N <sub >3</sub>3 H <sub >6</sub>6 ), boroxine (B <sub >3</sub>3 O <sub 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The nature of the chemical bond in borazine (B 33 N 33 H 66 ), boroxine (B 33 O 33 H 33 ), carborazine (B 22 N 22 C 22 H 66 ), and related species

摘要

The nature of the chemical bond in borazine (B ₃3 N ₃3 H ₆6 ), boroxine (B ₃3 O ₃3 H ₃3 ), carborazine (B ₂2 N ₂2 C ₂2 H ₆6 ), and related species