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首页> 外文期刊>International Journal of Quantum Chemistry >Segregation of tetracarbon units in low‐energy tetracarbindane structures: Major differences from their aluminum and gallium analogs
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Segregation of tetracarbon units in low‐energy tetracarbindane structures: Major differences from their aluminum and gallium analogs

机译：低能量肺壁结构中四碳装置的分离：与铝和镓类似物的主要差异

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Abstract > The structures and energetics of the tetracarbindanes C <sub>4</sub> In <sub>n?4</sub> Me <sub>n</sub> (n?=?6‐14) have been determined by density functional theory. In contrast to their aluminum and gallium analogs, the lowest energy tetracarbindanes typically have all four carbon atoms segregated into a single C <sub>4</sub> unit. Thus, linear C <sub>4</sub> units resembling butadiene are found in the lowest energy C <sub>4</sub> In <sub>n?4</sub> Me <sub>n</sub> structures. In addition, some higher energy tetracarbindane structures have a structural feature not found in any of the corresponding tetracarbalanes and tetracarbagallanes, namely closed trapezoidal C <sub>4</sub> units resembling cyclobutene. Such trapezoidal C <sub>4</sub> units bind to the In <sub>n?4</sub> subcluster with the C?C edge bonding to a single indium atoms as an olefin‐metal or 3‐center 2‐electron bond. These differences may be attributed to the larger size of indium atoms (1.42?? covalent radius) relative to gallium atoms (1.22?? covalent radius). </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> > TetracarbindaNes C <sub> 4 </ sub>中的结构和能量学> n？4 </ sub> me <sub> n </ sub>（n？=Δ6-14）已经通过密度函数理论确定。与它们的铝和镓类似物相比，最低能量TetracarbindAnes通常具有所有四个碳原子分离成单个C <Sub> 4 </ sub>单元。因此，类似于丁二烯的线性C <sub> 4 </ sub>单元在<sub>n≤4</ sub> me <sub> n </ sub>中，在最低能量c <sub> 4 </ sub>中找到结构。此外，一些更高的能量四碳茚基结构具有在任何相应的四氨基甲烷和四丙烷中未发现的结构特征，即类似环丁烯的闭合梯形C <亚℃。这种梯形C <sub> 4 </ sub>单元与in <sub> n = 4 </ sub>子簇结合，用c = c边缘键合到单个铟原子作为烯烃 - 金属或3中心2-电子键。这些差异可能归因于相对于镓原子（1.22'2共价半径）的较大尺寸的铟原子（1.42→共价半径）。 </ p> </ abstract> </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>2019年第15期</span><b style="margin: 0 2px;">|</b><span>共10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=Attia Amr A. A.&option=202" target="_blank" rel="nofollow">Attia Amr A. A.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Lupan Alexandru&option=202" target="_blank" rel="nofollow">Lupan Alexandru;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=King R. Bruce&option=202" target="_blank" rel="nofollow">King R. Bruce;</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 ChemistryFaculty of Chemistry and Chemical Engineering Babe?‐Bolyai UniversityCluj‐Napoca Romania;</p> <p>Department of ChemistryFaculty of Chemistry and Chemical Engineering Babe?‐Bolyai UniversityCluj‐Napoca Romania;</p> <p>Department of Chemistry and Center for Computational Quantum ChemistryUniversity of GeorgiaAthens Georgia;</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=Tetracarbindanes&option=203" rel="nofollow">Tetracarbindanes;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=indium clusters&option=203" rel="nofollow">indium clusters;</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=metal‐metal bonding&option=203" rel="nofollow">metal‐metal bonding;</a> </p> <div class="translation"> 机译：Tetracarbindanes;铟簇;密度函数理论;金属 - 金属键合; </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/0704019755507.html">Segregation of tetracarbon units in low‐energy tetracarbindane structures: Major differences from their aluminum and gallium analogs</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Attia Amr A. 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</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=余慧康&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 余慧康</a> <span> . 2020</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/06120767912.html">镓铟铝低共熔熔融体及其在提纯气体中的应用</a> <b>[P]</b> . <span> 中国专利： CN101380540B </span> <span> . 2011.06.29</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/06120105582523.html">镓铟铝低共熔熔融体及其在提纯气体中的应用</a> <b>[P]</b> . <span> 中国专利： CN101380540A </span> <span> . 2009-03-11</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130450029418.html">Red to yellow-green aluminum gallium indium phosphide LED, used for traffic signals, vehicle rear and fog lights or full color displays, has a low energy gap layer inserted between p-cladding layer and p-window layer</a> <b>[P]</b> . <span> 外国专利： <!-- 德国专利： --> DE10020612A1 </span> <span> . 2000-11-02</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：用于交通信号灯，车辆尾灯和雾灯或全彩显示器的红色至黄绿色铝镓磷化铟LED，在p覆层和p窗层之间插入了一个低能隙层 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130455328392.html">Measurement data processing computer for through-flow or heat amount units - has unit assembly in own housing arranged by measurement value transmitter for flow or for flow and temp. difference with housing structurely separated</a> <b>[P]</b> . <span> 外国专利： <!-- 德国专利： --> DE19527702A1 </span> <span> . 1997-01-30</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：用于流量或热量单位的测量数据处理计算机-在通过流量或流量和温度的测量值变送器布置的单元外壳中安装了单元组件。与房屋结构分开的区别 </span> </p> </li> <li> <div> <b>5. </b><a 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