二胺羰基负载的氨基邻苯二烯:晶体结构的表征和讨论

IF 0.4 4区化学 Q4 CRYSTALLOGRAPHY

Journal of Chemical Crystallography Pub Date : 2022-06-08 DOI:10.1007/s10870-022-00950-4

Anthony D. Ledet, Eric W. Reinheimer, Todd W. Hudnall

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引用次数: 0

摘要

在我们发表了第一个二胺碳烯(DAC)支持的氨基硼烯4的合成五年后，我们现在报告了难以理解的单晶x射线结构。4的x射线结构证实了我们之前的计算研究，表明硼烯采用近线性C(carbene) = B = N单元(175.88(18)◦)的异聚几何结构，C = B和B = N距离分别为1.416(3)和1.344(3)Å。此外，我们进一步提供了关于用于制备4的前体化合物以及已知的环(烷基)氨基卡宾(CAAC)类似物2的所述结构的定性和定量论述。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

A Diamidocarbene-Supported Aminoborylene: Characterization and Discussion of the Elusive Crystal Structure

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A Diamidocarbene-Supported Aminoborylene: Characterization and Discussion of the Elusive Crystal Structure

Five years after we published the synthesis of the first diamidocarbene (DAC)-supported amino borylene 4, we now report the elusive single crystal X-ray structure. The X-ray structure of 4 was found to corroborate our previous computational studies which indicated that the borylene adopted a heterocumulenic geometry with a near linear C_(carbene) = B = N unit (175.88(18)^◦) as well as short C = B and B = N distances of 1.416(3) and 1.344(3) Å, respectively. Additionally, we further provide a qualitative and quantitative discourse on said structure with respect to the precursor compounds used to prepare 4 as well as to the known cyclic (alkyl) amino carbene (CAAC) analog 2.

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来源期刊

Journal of Chemical Crystallography 化学-光谱学

CiteScore

1.50

自引率

12.50%

发文量

审稿时长

6.3 months

期刊介绍： Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.