Molecular Recognition of a Transition State

被引：19

作者：

Bao, Xiaoguang ^{[1
]}

Rieth, Stephen ^{[1
]}

Stojanovic, Sandra ^{[1
]}

Hadad, Christopher M. ^{[1
]}

Badjic, Jovica D. ^{[1
]}

机构：

[1] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 28期

基金：

美国国家科学基金会;

关键词：

host-guest systems; molecular dynamics; molecular recognition; supramolecular catalysis; transition states; C-13; NMR; CONFORMATIONAL-ANALYSIS; DENSITY FUNCTIONALS; ENZYME CATALYSIS; NANOSCALE HOST; RING INVERSION; GAS-PHASE; CYCLOHEXANE; GUEST; DYNAMICS;

D O I：

10.1002/anie.201000656

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) An Inside job: The conformational interconversion of cyclohexane occurs at a higher rate in the interior of gated molecular baskets (see picture) than in bulk free solvent or a vacuum. The acceleration results from more favorable noncovalent bonding, and hence stabilization of the transition state, of the encapsulated compound. © 2010 Wlley-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：4816 / 4819

页数：4

共 59 条

[1] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].