Characterization of the hyperline of D{sub 1}/D{sub 0} conical intersections between the maleic acid and fumaric acid anion radicals
Journal Article
·
· Journal of Chemical Physics
- Department of Chemistry, University of Tsukuba, Tsukuba 305-8571 (Japan)
The cation and anion radicals of symmetrical 1,2-disubstituted ethylenes are expected to have a symmetry-allowed conical intersection (CI) between the ground doublet state (D{sub 0}) and the lowest excited doublet state (D{sub 1}) near a 90 deg.-twisted geometry. By the complete active space self-consistent field method, we characterized the hyperline formed by D{sub 1}/D{sub 0} CIs between the anion radicals of maleic acid (cis) and fumaric acid (trans). An implication of the results for the known one-way cis{yields}trans photoisomerization of the maleic acid anion radical and other related ion radicals is presented.
- OSTI ID:
- 20658010
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 14 Vol. 121; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Similar Records
Thermal-induced conversion of maleic and fumaric acid anion radicals in poly(methyl methacrylate)
EFFECT OF X-RAY OR RADIOACTIVE COMPOUND ON THE ISOMERIZATION OF MALEIC ACID INTO FUMARIC ACID
One-way photoisomerization of stilbene cation and anion radicals in solution
Journal Article
·
Mon Mar 31 23:00:00 EST 1980
· J. Polym. Sci., Polym. Chem. Ed.; (United States)
·
OSTI ID:5101863
EFFECT OF X-RAY OR RADIOACTIVE COMPOUND ON THE ISOMERIZATION OF MALEIC ACID INTO FUMARIC ACID
Journal Article
·
Sun Dec 31 23:00:00 EST 1961
· Bull. Inst. Chem. Acad. Sinica
·
OSTI ID:4795379
One-way photoisomerization of stilbene cation and anion radicals in solution
Journal Article
·
Thu Aug 11 00:00:00 EDT 1988
· J. Phys. Chem.; (United States)
·
OSTI ID:6298617