FOLLOWING REACTION PATHS IN ORGANIC-PHOTOCHEMISTRY - THE SPECIAL ROLE OF SURFACE CROSSINGS

被引：25

作者：

BERNARDI, F ^{[1
]}

OLIVUCCI, M ^{[1
]}

ROBB, MA ^{[1
]}

机构：

[1] UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND

来源：

PURE AND APPLIED CHEMISTRY | 1995年 / 67卷 / 01期

关键词：

D O I：

10.1351/pac199567010017

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In this paper we discuss the mechanistic importance of surface crossings in various types of organic photochemical reactions which include the photocycloaddition of alkenes and the photochemistry of butadiene and acrolein. We discuss both the role of conical intersections which occur between states of the same multiplicity (most commonly singlet-singlet) and of intersystem crossings that occur between states of different multiplicity (typically singlet-triplet).

引用

页码：17 / 24

页数：8

共 18 条

[1] POTENTIAL-ENERGY SURFACES NEAR INTERSECTIONS [J].

ATCHITY, GJ ;

XANTHEAS, SS ;

RUEDENBERG, K .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (03) :1862-1876

[2] MECHANISM OF GROUND-STATE-FORBIDDEN PHOTOCHEMICAL PERICYCLIC-REACTIONS - EVIDENCE FOR REAL CONICAL INTERSECTIONS [J].

BERNARDI, F ;

DE, S ;

OLIVUCCI, M ;

ROBB, MA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (05) :1737-1744

[3]

BERNARDI F, 1994, J CHEM SOC FARADAY T, P1617

[4] DIRECT MINIMIZATION IN MC SCF THEORY - THE QUASI-NEWTON METHOD [J].

EADE, RHA ;

ROBB, MA .

CHEMICAL PHYSICS LETTERS, 1981, 83 (02) :362-368

[5] IRRADIATION OF ALPHA,BETA-UNSATURATED KETONES - SEARCH FOR INTERMEDIATE OXABICYCLOBUTANES [J].

FRIEDRIC.LE ;

SCHUSTER, GB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (04) :1193-&

[6] PHOTOCHEMICAL PREPARATION OF A STABLE OXETENE [J].

FRIEDRICH, LE ;

SCHUSTER, GB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (25) :7204-+

[7]

Frisch M.J., 1992, GAUSSIAN 92 REVISION

[8]

GILBERT A, 1991, ESSENTIALS MOL PHOTO

[9]

GRAF JF, 1979, MOL PHOTOCHEM, V9, P227

[10]

MICHL J, 1990, ELECTRONIC ASPECTS O

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