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Volumn 112, Issue 14, 2008, Pages 4427-4434

High-resolution spectroscopy of methyl 4-hydroxycinnamate and its hydrogen-bonded water complex

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL PROPERTIES; CHROMOPHORES; COMPLEXATION; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; HYDROGEN; MODAL ANALYSIS; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS; STRUCTURAL PROPERTIES;

EID: 46449096454     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7101308     Document Type: Article
Times cited : (35)

References (42)
  • 9
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    • 3 fragment. The latter is, however, not the case for p-coumaric thioacid.
    • 3 fragment. The latter is, however, not the case for p-coumaric thioacid.
  • 15
    • 0001560421 scopus 로고    scopus 로고
    • Von, Arnim, M.; Ahlrichs, R. J. Comp. Chem. 1998, 19, 1746.
    • Von, Arnim, M.; Ahlrichs, R. J. Comp. Chem. 1998, 19, 1746.
  • 29
    • 84906375904 scopus 로고    scopus 로고
    • GAMESS version, June 27, 2005 (R2).
    • GAMESS version, June 27, 2005 (R2).
  • 32
    • 84906361425 scopus 로고    scopus 로고
    • Werner, H.-J, Knowles, P. J, Lindh, R, Manby, F. R, Schütz, M, Celani, P, Korona, T, Rauhut, G, Amos, R. D, Bernhardsson, A, Berning, A, Cooper, D. L, Deegan, M. J. O, Dobbyn, A. J, Eckert, F, Hampel, C, Hetzer, G, Lloyd, A.W, McNicholas, S. J, Meyer, W, Mura, M. E, Nicklass, A, Palmieri, P, Pitzer, R, Schumann, U, Stoll, H, Stone, A. J, Tarroni, R, Thorsteinsson, T. MOLPRO, version 2006.1, a package of ab initio programs; see
    • Werner, H.-J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Schütz, M.; Celani, P.; Korona, T.; Rauhut, G.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Hetzer, G.; Lloyd, A.W.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pitzer, R.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T. MOLPRO, version 2006.1, a package of ab initio programs; see http://www.molpro.net.
  • 33
    • 84906361426 scopus 로고    scopus 로고
    • It has been suggested39 that the difference in radiative lifetime between the neutral and deprotonated (anionic) form of the OMpCA in solution should be attributed to the coupling of the nπ* state with a nearby ππ* state. Our current and previous10 calculations, however, imply that the complete explanation involves the switching of the V and V states upon deprotonation
    • 10 calculations, however, imply that the complete explanation involves the switching of the V and V states upon deprotonation.
  • 36
    • 84906375905 scopus 로고    scopus 로고
    • s, symmetry of the bare chromophore is preserved.
    • s, symmetry of the bare chromophore is preserved.
  • 40
    • 84906375906 scopus 로고    scopus 로고
    • An alternative explanation is that the bands of the two conformations exactly superimpose. It would be hard to believe that this would occur for every single band, and this explanation is therefore rejected
    • An alternative explanation is that the bands of the two conformations exactly superimpose. It would be hard to believe that this would occur for every single band, and this explanation is therefore rejected.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.