AM1 ELECTRON-DENSITY AND NMR SPECTRAL STUDIES OF CAROTENOIDS WITH A STRONG TERMINAL ELECTRON-ACCEPTOR

被引：17

作者：

HAND, ES ^{[1
]}

BELMORE, KA ^{[1
]}

KISPERT, LD ^{[1
]}

机构：

[1] UNIV ALABAMA,DEPT CHEM,TUSCALOOSA,AL 35487

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1993年 / 04期

关键词：

D O I：

10.1039/p29930000659

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

NMR spectral analyses of 7',7'-dicyano-7'-apo-beta-carotene (1), which was synthesized to assess the effect of a terminal strong electron acceptor on the structure of carotenoids and the molecular features which control their photochemical properties, are presented. AM1 Molecular orbital calculated electron density differences for 1 and 8'-apo-beta-caroten-8'-al (2)have been found to correlate with the differences in C-13 NMR chemical shifts using beta-carotene (3) as a reference.

引用

页码：659 / 663

页数：5

共 21 条

[1] H-1 AND C-13 ASSIGNMENTS FROM SENSITIVITY-ENHANCED DETECTION OF HETERONUCLEAR MULTIPLE-BOND CONNECTIVITY BY 2D MULTIPLE QUANTUM NMR [J].