期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 54, 期 45, 页码 13436-13439出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201506126
关键词
azobenzene; isomerization; London dispersion; molecular switches; steric interactions
Large substituents are commonly seen as entirely repulsive through steric hindrance. Such groups have additional attractive effects arising from weak London dispersion forces between the neutral atoms. Steric interactions are recognized to have a strong influence on isomerization processes, such as in azobenzene-based molecular switches. Textbooks indicate that steric hindrance destabilizes the Zisomers. Herein, we demonstrate that increasing the bulkiness of electronically equal substituents in the meta-position decreases the thermal reaction rates from the Z to the E isomers. DFT computations revealed that attractive dispersion forces essentially lower the energy of the Z isomers.
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