Stability analysis of the two rotational isomers of meta-fluorobenzaldehyde in the S0, S1, and S2 electronic states

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 7, 2004, Pages 1625-1629

  Uejoh, Kazuya ^a,b   Habu Nishigori, Mariko ^a,c   Koyanagi, Motohiko ^a,b  

^a KYUSHU UNIVERSITY   (Japan)

^b UNIVERSITY OF THE RYUKYUS   (Japan)

^c TOSHIBA CORPORATION   (Japan)

Author keywords

Ab initio calculations; Rotational isomers in singlet manifold; Stabilization energies of m fluorobenzaldehyde; UV absorption simulations

Indexed keywords

ABSORPTION SPECTROSCOPY; COMPUTER SIMULATION; DISTILLATION; ELECTRON ENERGY LEVELS; EMISSION SPECTROSCOPY; ISOMERS; PHASE EQUILIBRIA; PHOSPHORESCENCE; THERMAL EFFECTS; ULTRAVIOLET RADIATION;

AB INITIO CALCULATIONS; ROTATIONAL ISOMERS IN SINGLET MANIFOLD; STABILIZATION ENERGIES OF M-FLUOROBENZALDEHYDE; UV ABSORPTION SIMULATIONS;

AROMATIC HYDROCARBONS;

BENZALDEHYDE DERIVATIVE; HEXANE; N-HEXANE;

ARTICLE; CHEMISTRY; DRUG STABILITY; ELECTROCHEMISTRY; SOLUTION AND SOLUBILITY; STEREOISOMERISM; THERMODYNAMICS; ULTRAVIOLET SPECTROPHOTOMETRY;

BENZALDEHYDES; DRUG STABILITY; ELECTROCHEMISTRY; HEXANES; SOLUTIONS; SPECTROPHOTOMETRY, ULTRAVIOLET; STEREOISOMERISM; THERMODYNAMICS;

EID: 2442593890     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2003.09.004     Document Type: Article

References (17)

1. Bock E., Tomchuk E. Can. J. Chem. 50:1972;2890.
2. Bruce E.A.W., Ritchie G.L.D., Williams A.J. Aust. J. Chem. 27:1976;1809.
3. Aw C.T., Huang H.H., Tan E.L.K. J. Chem. Soc., Perkin Trans. 2:1972;1638.
4. Green J.H.S., Harrison D.J. Spectrochim. Acta. 32A:1976;1265.
5. Miller F.A., Fateley W.G., Witokowski R.E. Spectrochim. Acta. 23:1967;891.
6. Drakenberg T., Jost R., Sommer J.M. J. Chem. Soc., Perkin Trans. 2:1975;1682.
7. Wasylishen R., Schaefer T. Can. J. Chem. 49:1971;3216.
8. Uejoh K., Shimokozono M., Koyanagi M. Bull. Chem. Soc. Jpn. 70:1997;1033.
9. Uejoh K., Shimokozono M., Koyanagi M. Bull. Chem. Soc. Jpn. 63:1990;2665.
10. Koyanagi M., Kanda Y. Spectrochim. Acta. 20:1964;993.
11. Koyanagi M. J. Mol. Spectrosc. 25:1968;273.
12. Nakashima K., Koyanagi M. Bull. Chem. Soc. Jpn. 55:1982;3923.
13. J.A. Riddickand W.B. Bunger (Eds.), Organic Solvents, vol. II, Wiley, New York, 1970, p. 78.
14. Goodman L., Koyanagi M. Mol. Photochem. 4:1972;369 A. Duben, L. Goodman, M. Koyanagi, Excited States, vol. 1, Academic Press, New York, 1974, p. 295.
15. Goodman L., Koyanagi M. Mol. Photochem. 4:1972;369 A. Duben, L. Goodman, M. Koyanagi, Excited States, vol. 1, Academic Press, New York, 1974, p. 295.
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98W, Revision A.11, Gaussian, Inc., Pittsburgh, PA, 2001.
17. Onsager L. J. Am. Chem. Soc. 58:1938;1486.