当前位置: X-MOL 学术J. Comput. Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Cover Image, Volume 39, Issue 10
Journal of Computational Chemistry ( IF 3 ) Pub Date : 2018-02-21 , DOI: 10.1002/jcc.25200


How does hyperconjugation influence π‐hydrogen bonding? On page 527, Boris Galabov and coworkers at the University of Sofia, together with Henry F. Schaefer from the University of Georgia, describe the application of infrared spectroscopy and theory in examining and quantifying the effects of hyperconjugation on the bonding between hexamethylbenzene and series of twenty substituted phenols. A comparative analysis for analogous complexes of phenols with benzene reveals the magnitude and mechanism of the methyl hyperconjugative effects on hydrogen bonding. Strong electrostatic attraction between the aromatic ring in hexamethylbenzene and the OH group of phenols results in much increased ΔVOH IR frequency shifts. (DOI: 10.1002/jcc.25088)
image


中文翻译:

封面图片,第39卷,第10期

超共轭如何影响π-氢键?在第527页上,索非亚大学的Boris Galabov及其同事与乔治亚大学的Henry F. Schaefer一起,描述了红外光谱学和理论在检验和量化高共轭对六甲基苯与一系列苯甲酸酯之间的键合的影响中的应用。二十种取代的苯酚。苯酚与苯的类似配合物的比较分析揭示了甲基对氢键的超共轭作用的大小和机理。在六甲基苯的芳族环和O之间的强静电吸引在大大增加ΔV酚结果H基团OH IR频移。(DOI:10.1002 / jcc.25088)
图像
更新日期:2018-02-21
down
wechat
bug