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Volumn 112, Issue 25, 2008, Pages 5604-5612

Photophysics of (1-butyl-4-(1H-inden-1-ylidene)-1,4-dihydropyridine (BIDP): An experimental test for conical intersections

Author keywords

[No Author keywords available]

Indexed keywords

CONICAL INTERSECTIONS; DECAY TIMES; DIHYDROPYRIDINE; EXPERIMENTAL TESTING; NON-POLAR; PHOTOPHYSICS;

EID: 84961980427     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7110296     Document Type: Article
Times cited : (8)

References (41)
  • 3
    • 84962365299 scopus 로고    scopus 로고
    • A recent Faraday discussion provided a good coverage of the state of the field
    • A recent Faraday discussion provided a good coverage of the state of the field: Faraday Dis. 2004, Vol. 127.
    • (2004) Faraday Dis , vol.127
  • 4
    • 4544376557 scopus 로고    scopus 로고
    • Fuss, W.; Kosmidis, C.; W. E. Schmid, W. E.; Trushin, S. A. Angew. Chem., Int. Ed. 2004, 43, 4178.
    • Fuss, W.; Kosmidis, C.; W. E. Schmid, W. E.; Trushin, S. A. Angew. Chem., Int. Ed. 2004, 43, 4178.
  • 33
    • 84962344670 scopus 로고    scopus 로고
    • The figure shows a search for the conical intersection along a single coordinate, although two coordinates are generally required see ref 15, If a symmetry element is conserved along a phase inverting reaction path between two critical points and the two crossing states belong to different irreducible representations, a one-dimensional search is sufficient The reason is that the derivative of the electronic Born-Oppenheimer Hamihonian with respect to any symmetry-preserving coordinate is a totally symmetric operator. All matrix elements of mis operator between states of different irreducible representations and hence the coupling V vanish. This is the case: both transition states belong to C2v symmetry, the biradical TS transforms as a2 and the zwitterion TS as a1. The coordinate connecting the two transition states is a phase inverting one and the conserved symmetry element is the C2 rotation
    • 2 rotation.
  • 35
    • 84962457519 scopus 로고    scopus 로고
    • We are indebted to one of the reviewers for a discussion of this point
    • We are indebted to one of the reviewers for a discussion of this point.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.