Direct observation of disrotatory ring-opening in photoexcited cyclobutene using ab initio molecular dynamics

被引:25
作者
Ben-Nun, M
Martínez, TJ
机构
[1] Univ Illinois, Dept Chem, Urbana, IL 61801 USA
[2] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA
关键词
D O I
10.1021/ja9943896
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:6299 / 6300
页数:2
相关论文
共 24 条
[1]   185-NM PHOTOCHEMISTRY OF CYCLOBUTENE AND BICYCLO[1.1.0]BUTANE [J].
ADAM, W ;
OPPENLANDER, T ;
ZANG, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3921-3924
[2]   STEREOSLECTIVE PHOTOCHEMICAL ELECTROCYCLIC VALENCE ISOMERIZATIONS OF ALPHA-PHELLANDRENE CONFORMATIONAL ISOMERS [J].
BALDWIN, JE ;
KRUEGER, SM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (23) :6444-&
[3]   ACCURATE QUANTUM CHEMICAL CALCULATIONS [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR ;
TAYLOR, PR .
ADVANCES IN CHEMICAL PHYSICS, 1990, 77 :103-161
[4]   Ab initio molecular dynamics study of cis-trans photoisomerization in ethylene [J].
Ben-Nun, M ;
Martínez, TJ .
CHEMICAL PHYSICS LETTERS, 1998, 298 (1-3) :57-65
[5]   EXCITED-STATE REACTION PATHWAYS FOR S-CIS BUTA-1,3-DIENE [J].
CELANI, P ;
BERNARDI, F ;
OLIVUCCI, M ;
ROBB, MA .
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (14) :5733-5742
[6]   VIBRATIONAL-SPECTRA AND ASSIGNMENTS FOR 1-FLUOROCYELOBUTENE AND 1-CHLOROCYCLOBUTENE - REVISED ASSIGNMENT FOR CYCLOBUTENE [J].
CRAIG, NC ;
BORICK, SS ;
TUCKER, TR ;
XIAO, YZ .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (09) :3549-3558
[9]   GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES [J].
GODDARD, WA ;
DUNNING, TH ;
HUNT, WJ ;
HAY, PJ .
ACCOUNTS OF CHEMICAL RESEARCH, 1973, 6 (11) :368-376
[10]   DISTRIBUTION-FUNCTIONS IN PHYSICS - FUNDAMENTALS [J].
HILLERY, M ;
OCONNELL, RF ;
SCULLY, MO ;
WIGNER, EP .
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1984, 106 (03) :121-167