Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide -: a two-sided semiempirical approach

被引：12

作者：

Granados, AM

de Rossi, RH

Barbiric, DA

Castro, EA

机构：

[1] Natl Univ La Plata, CEQUINOR, Dept Quim, Fac Ciencias Exactas, RA-1900 La Plata, Argentina

[2] Univ Nacl Cordoba, Dept Quim Organ, Fac Ciencias Quim, INFIQC, RA-5000 Cordoba, Argentina

[3] Univ Buenos Aires, DQIAQF, Fac Ciencias Exactas & Nat, RA-1428 Buenos Aires, DF, Argentina

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2002年 / 619卷

关键词：

inclusion complexes; phtalamides; cyclodextrins;

D O I：

10.1016/S0166-1280(02)00549-3

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Complexes of beta-cyclodextrin including N-phenylphtalamide, N-adamantylphtalamide or their respective intermediates occurring during intramolecular amide hydrolysis were calculated by means of the PM3 and molecular mechanics programs. Structural features of the complexes, energy changes and mutual interactions are comparatively analyzed in order to explain the behavior differences that were experimentally observed between the two-substrate families. Some convergence characteristics are also commented. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：91 / 100

页数：10

共 20 条

[1] A molecular mechanics study of 1:1 complexes between azobenzene derivatives and β-cyclodextrin [J].