THEORETICAL-STUDY ON THE PHOTO-DISSOCIATION OF C3O2

被引：9

作者：

OSAMURA, Y

NISHIMOTO, K

YAMABE, S

MINATO, T

机构：

[1] KYOTO UNIV,FAC ENGN,SAKYO KU,KYOTO 606,JAPAN

[2] NARA UNIV EDUC,DEPT CHEM,NARA 630,JAPAN

来源：

THEORETICA CHIMICA ACTA | 1979年 / 52卷 / 04期

关键词：

Carbon suboxide; Carbonylcarbene; Photodissociation;

D O I：

10.1007/BF00549086

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：

The photodecomposition of C3O2 into C2O and CO is studied with the ab initio MO calculation. It is found that, starting from the second excited state of C3O2 (Δu), the ground-state C2O (triplet) is yielded through the bent dissociation. The stable structure of the excited triplet state of C3O2 as an intermediate is also demonstrated. © 1979 Springer-Verlag.

引用

页码：257 / 265

页数：9

共 18 条

[1] EVEN-TEMPERED ATOMIC ORBITALS .7. THEORETICAL EQUILIBRIUM GEOMETRIES AND REACTION ENERGIES FOR CARBON SUBOXIDE AND OTHER MOLECULES CONTAINING CARBON, OXYGEN, AND HYDROGEN [J].