THEORETICAL-STUDY OF THE GEOMETRY OF THE 1ST TRIPLET OF ACETALDEHYDE AND OF ITS FRAGMENTATION INTO FREE-RADICALS

被引:25
作者
ALTMANN, JA [1 ]
DOUST, TAM [1 ]
OSBORNE, AD [1 ]
机构
[1] UNIV LONDON WESTFIELD COLL,DEPT CHEM,LONDON NW3 7ST,ENGLAND
关键词
D O I
10.1016/0009-2614(80)85136-0
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
引用
收藏
页码:595 / 599
页数:5
相关论文
共 13 条
[1]   THEORETICAL-STUDY CONCERNING MECHANISMS OF MOLECULAR REARRANGEMENT OF CARBONYL-COMPOUNDS TO OXACARBENES IN LOWEST TRIPLET-STATE [J].
ALTMANN, JA ;
CSIZMADIA, IG ;
ROBB, MA ;
YATES, K ;
YATES, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (06) :1653-1657
[2]   ABINITIO STUDY OF REARRANGEMENT OF CARBONYL-COMPOUNDS TO OXACARBENES [J].
ALTMANN, JA ;
CSIZMADIA, IG ;
YATES, K ;
YATES, P .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (01) :298-302
[3]  
ALTMANN JA, 1977, THESIS U TORONTO
[4]   ROLE OF EXCITED-STATES IN GAS-PHASE PHOTOLYSIS OF ACETALDEHYDE [J].
ARCHER, AS ;
CUNDALL, RB ;
PALMER, TF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1973, 334 (1598) :411-426
[5]  
ARCHER AS, 1973, P ROY SOC A, V33, P385
[6]   ATTRACTIVE NATURE OF ROTATIONAL BARRIER IN ACETALDEHYDE [J].
DAVIDSON, RB ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (07) :2828-&
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[8]  
HEHRE WJ, QCPE236 U IND PROGR
[9]   AB-INITIO CALCULATION ON PHOTOCHEMISTRY OF FORMALDEHYDE - SEARCH FOR A HYDROXYCARBENE INTERMEDIATE [J].
KEMPER, MJH ;
VANDIJK, JMF ;
BUCK, HM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (25) :7841-7846
[10]   METAL-CARBENE COMPLEXES AND POSSIBLE ROLE OF HYDROXY-CARBENE IN FORMALDEHYDE LASER PHOTOCHEMISTRY [J].
LUCCHESE, RR ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (01) :298-299