In search for a hydride‐carbene bond

机译：寻找氢化物 - 卡宾键

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Abstract > By presenting a large group of dimers featuring hydride‐carbene bond between silane and various carbenes, we show that electrophilic properties of singlet carbenes can manifest also to a hydridic, ie, negatively charged, hydrogen atom of a hydride. This type of interaction is traced by the corresponding bond path in 18 cases. However, taking into account the fact that in the case of large interatomic distances, the electrostatic potential maps are better indicators of dominant intermolecular interactions, it is shown that the amount of dimers with the hydride‐carbene bond is even larger, as indicated by both the proximity and correct orientation of the <fi>π</fi> ‐hole on the carbene carbon atom and the negative surface of the hydridic hydrogen of the silane molecule. The hydride‐carbene bond is weak, especially when compared with the hydride‐triel bond also involving the silane. In contrast to the latter, the intermolecular charge transfer is negligible. Moreover, the local electrostatic interaction involving the carbene carbon's <fi>π</fi> ‐hole is not necessarily predominant in stabilization of all the carbene?silane complexes. </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”XML：ID =“PoC3949-ABS-AB-0001”> <Title Type =“Main”> Abstract </ Title> >通过呈现一大群Dimers特色硅烷和各种碳甲板之间的氢化物 - 卡宾粘合，我们表明单线碳酸的亲电性能也可以表现为氢化物的氢化物，即负电荷的氢原子。这种类型的相互作用在18例中被相应的粘合路径进行跟踪。然而，考虑到在大的内部距离大的情况下，静电势图是优势分子间相互作用的更好指标，结果表明，氢化物 - 卡宾键的二聚体量甚至更大，如两者所示硅烷分子氢碳原子和硅烷分子氢氢的氢碳原子和负面的接近度和正确取向。氢化物 - 卡宾键弱，特别是与涉及硅烷的氢化物三键相比。与后者相比，分子间电荷转移可忽略不计。此外，涉及卡宾碳的<fi>π/ fi> -hole的局部静电相互作用不一定是所有卡烷络合物的稳定化的主导。 </ 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-35546/'>《Journal of Physical Organic Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2019年第7期</span><b style="margin: 0 2px;">|</b><span>共14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=Jab?oński Miros?aw&option=202" target="_blank" rel="nofollow">Jab?oński Miros?aw;</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 Quantum Chemistry Faculty of ChemistryNicolaus Copernicus University in Toruń7‐Gagarina St. Toruń 87‐100 Poland;</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/4796.html" title="有机化学一般性问题">有机化学一般性问题;</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=bond&option=203" rel="nofollow">bond;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=carbene&option=203" rel="nofollow">carbene;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=electrophilicity&option=203" rel="nofollow">electrophilicity;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=electrostatic potential&option=203" rel="nofollow">electrostatic potential;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=hydride&option=203" rel="nofollow">hydride;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=interaction&option=203" rel="nofollow">interaction;</a> </p> <div class="translation"> 机译：债券;卡宾;亲电子;静电势;氢化物;相互作用; </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/0704025793670.html">In search for a hydride‐carbene bond</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Jab?oński Miros?aw&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Jab?oński Miros?aw </a> <a href="/journal-foreign-35546/" target="_blank" rel="nofollow" class="tuijian_authcolor">Journal of Physical Organic Chemistry .</a> <span>2019</span><span>,第7期</span> </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：寻找氢化物 - 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