Toluene: structure, dynamics, and barrier to methyl group rotation in its electronically excited state. A route to IVR

Journal of Chemical Physics

Volumn 113, Issue 9, 2000, Pages 3658-3669

  Borst, David R ^a   Pratt, David W ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; FLUORESCENCE; MOLECULAR BEAMS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; RELAXATION PROCESSES; ROTATION; SPECTROSCOPIC ANALYSIS;

BOND LENGTHS; ELECTRONICALLY EXCITED STATE; HYPERCONJUGATIVE INTERACTIONS; INTRAMOLECULAR VIBRATIONAL EXCITATION; METHYL GROUP;

TOLUENE;

EID: 0034269444     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1287392     Document Type: Article

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47. J. B. Hopkins, D. E. Powers, S. Mukamel, and R. E. Smalley, J. Chem. Phys. 72, 5049 (1980).
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51. H. D. Rudolph, H. Dreizler, A. Jaeschke, and P. Wendung, Z. Naturforsch. A 22a, 940 (1967).
52. W. A. Kreiner, H. D. Rudolph, and B. T. Tan, J. Mol. Spectrosc. 48, 86 (1973).
53. E. B. Wilson, C. C. Lin, and D. R. Lide, J. Chem. Phys. 23, 136 (1955).
54. X.-Q. Tan and D. W. Pratt, J. Chem. Phys. 100, 7061 (1994).
55. L. Salem, The Molecular Orbital Theory of Conjugated Systems (Benjamin, Reading, 1966).
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74. 3 (Tables I and II) which are significantly different, in both states.
75. J. T. Vivian, S. A. Lehn, and J. H. Frederick, J. Chem. Phys. 107, 6646 (1997).
76. D. S. Perry, G. A. Bethardy, and X.-L. Wang, Ber. Bunsenges. Phys. Chem. 99, 530 (1995).
77. E. L. Eliel, S. H. Wiley, and L. N. Mander, Stereochemistry of Organic Compounds (Wiley-Interscience, New York, 1994).
78. A. E. Dorigo, D. W. Pratt, and K. N. Houk, J. Am. Chem. Soc. 109, 6591 (1987).
79. S. Yan and L. H. Spangler, J. Chem. Phys. 96, 4106 (1992).
80. F. A. Ensminger, J. Plassard, and T. S. Zwier, J. Phys. Chem. 97, 4344 (1993).