Vibrational excitons in CH-stretching fundamental and overtone vibrational circular dichroism spectra

Monatshefte fur Chemie

Volumn 136, Issue 3, 2005, Pages 325-345

  Gangemi, Roberto ^a,b   Longhi, Giovanna ^a,b   Lebon, France ^a,b   Abbate, Sergio ^a,b   Laux, Leo ^c  

^a UNIVERSITY OF BRESCIA   (Italy)

^b INFM   (Italy)

^c LOCKHEED MARTIN   (United States)

Author keywords

Ab initio calculations; Circular dichroism; IR spectroscopy; Terpenoids

Indexed keywords

ESSENTIAL OIL;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CIRCULAR DICHROISM; ELECTRICITY; MATHEMATICAL ANALYSIS; OSCILLATOR;

EID: 17644401703     PISSN: 00269247     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00706-004-0280-9     Document Type: Article

References (33)

1. Davydov AS (1971) Theory of Molecular Exciton. Plenum Press, New York
2. Frenkel YI (1931) Phys Rev 37: 1276; Frenkel YI (1936) Phys Z Sowjetunion 9: 158
3. Frenkel YI (1931) Phys Rev 37: 1276; Frenkel YI (1936) Phys Z Sowjetunion 9: 158
4. Moffitt WA (1956) J Chem Phys 25: 458
5. nd ed. Wiley-VCH, New York, p 337
6. Holzwarth G, Chabay I (1972) J Chem Phys 57: 1632
7. Keiderling TA, Stephens PJ (1977) J Am Chem Soc 99: 8061
8. Marcott C, Blackburn CC, Faulkner TR, Moscowitz A, Overend J (1978) J Am Chem Soc 100:5262
9. Laux L, Pultz V, Abbate S, Havel HA, Overend J, Moscowitz A, Lightner DA (1982) J Am Chem Soc 104: 4276
10. Laux L (1982) PhD Thesis. Department of Chemistry, University of Minnesota
11. Bour P, Keiderling TA (1992) J Am Chem Soc 114: 9100
12. Schellman JA (1968) Ace Chem Res 1: 144
13. Devlin FJ, Stephens PJ (1999) J Am Chem Soc 121: 7413
14. Condon U (1932) Rev Mod Phys 9: 432
15. Longhi G, Abbate S, Ricard L, Zerbi G (1988) J Chem Phys 92: 3302
16. Fuhrer H, Kartha VB, Krueger PJ, Manisch H, Jones RN (1972) Chem Rev 72: 439
17. Singh RD, Keiderling TA (1981) J Chem Phys 74: 5347
18. Buffeteau T, Ducasse L, Brizard A, Hue I, Oda R (2004) J Phys Chem A 108: 4080
19. Stephens PJ (1985) J Phys Chem 89: 748
20. Stephens PJ (1987) In: Avery J, Dahl JP, Hansen A (eds) Understanding Molecular Properties. Dordrecht, Reidel, p 333
21. Nafie LA, Freedman TB (2000) In: Berova N, Nakanishi K, Woody RW (eds) Circular Dichroism: Principles and Applications. Wiley-VCH, p 97
22. Frisch MJ et al. (2003) Gaussian 03, Revision B.05, Gaussian Inc, Pittsburgh, PA
23. Longhi G, Gangemi R, Lebon F, Castiglioni E, Abbate S, Pultz VM, Lightner DA (2004) J Phys Chem A 108: 5338
24. Abbate S, Havel HA, Laux L, Pultz V, Moscowitz A (1988) J Phys Chem 92: 3302
25. Applequist J, Carl JR, Fung KK (1972) J Am Chem Soc 94: 2952; Applequist J (1973) J Chem Phys 58: 4251
26. Applequist J, Carl JR, Fung KK (1972) J Am Chem Soc 94: 2952; Applequist J (1973) J Chem Phys 58: 4251
27. Henry BR (1987) Acc Chem Res 20: 429
28. Child MS, Halonen L (1985) Adv Chem Phys LVII: 1
29. Abbate S, Gangemi R, Longhi G (2002) J Chem Phys 117: 7575
30. Marcott C, Faulkner TR, Overend J, Moscowitz A (1977) J Am Chem Soc 99: 8160
31. Polavarapu P (1996) Mol Phys 85: 1503
32. Castiglioni E, Lebon F, Longhi G, Abbate S (2002) Enantiomer 7: 161
33. Nafie LA, Cao X, Guo C (2003) Appl Spectrosc 57: 1245