C-H ⋯ O hydrogen bonds in liquid cyclohexanone revealed by the νC = O splitting and the νC-H blue shift

Journal of Raman Spectroscopy

Volumn 34, Issue 11, 2003, Pages 863-867

  Vaz, Pedro D ^a   Ribeiro Claro, Paulo J A ^a  

^a UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

Ab initio calculations; Blue shift; C H O hydrogen bond; Vibrational spectroscopy

Indexed keywords

HYDROGEN BONDS; SPECTROSCOPIC ANALYSIS;

AB INITIO CALCULATIONS; BLUE SHIFT; C-H...O HYDROGEN BOND; CARBONYL GROUPS; CYCLOHEXANONES; RELATIVE INTENSITY; SPECTROSCOPIC STUDIES; SPLITTINGS; TEMPERATURE DEPENDENT; TWO BANDS;

VIBRATIONAL SPECTROSCOPY;

CARBON; CARBONYL DERIVATIVE; CYCLOHEXANONE; HYDROGEN; OXYGEN; SOLVENT;

ARTICLE; HYDROGEN BOND; RAMAN SPECTROMETRY; SPECTROSCOPY; TEMPERATURE DEPENDENCE; THEORETICAL STUDY; VIBRATION;

EID: 0344441954     PISSN: 03770486     EISSN: None     Source Type: Journal    
DOI: 10.1002/jrs.1066     Document Type: Article

References (32)

1. Wahl CM, Sundaralingam M. Trends Biochem. Sci. 1997; 22: 97.
2. Marfurt J, Leumann C. Angew. Chem. 1998; 110: 184; Angew. Chem., Int. Ed. Engl. 1998; 37: 175.
3. Marfurt J, Leumann C. Angew. Chem. 1998; 110: 184; Angew. Chem., Int. Ed. Engl. 1998; 37: 175.
4. Derewenda ZS, Derewenda U, Kobos PM. J. Mol. Biol. 1994; 241: 83.
5. Auffinger P, Westhof E. J. Mol. Biol. 1997; 274: 54.
6. Scheiner S, Kar T. J. Phys. Chem. A 2002; 106: 1784.
7. Grabowski SJ. J. Phys. Chem. A 2001; 105: 10 739.
8. Qian WL, Krimm S. J. Phys. Chem. A 2002; 106: 6628.
9. Hermansson K. J. Phys. Chem. A 2002; 106: 4695.
10. Li X, Lin L, Schelegel HB. J. Am. Chem. Soc. 2002; 124: 9639.
11. Hobza P, Špirko V, Havlas Z, Buchhold K, Reimann B, Barth H-D, Brutschy B. Chem. Phys. Lett. 1999; 299: 180.
12. Scheiner S, Gu Y, Kar T. Theochem 2000; 500: 441.
13. van der Veken BJ, Herrebout WA, Szostak R, Shchepkin DN, Havlas Z, Hobza P. J. Am. Chem. Soc. 2001; 123: 12 290.
14. Delanoye SN, Herrebout WA, van der Veken BJ. J. Am. Chem. Soc. 2002; 124: 7490.
15. Karger N, Amorim da Costa AM, Ribeiro-Claro PJA. J. Phys. Chem. A 1999; 103: 8672.
16. Marques MPM, Amorim da Costa AM, Ribeiro-Claro PJA. J. Phys. Chem. A 2001; 105: 5292.
17. Ribeiro-Claro PJA, Marques MPM, Amado AM. Chem. Phys. Chem 2002; 3: 599.
18. Ribeiro-Claro PJA, Drew MGB, Felix V. Chem. Phys. Lett. 2002; 356: 318.
19. Vaz PD, Ribeiro-Claro PJA. J. Phys. Chem. A in press.
20. Nyquist RA. Appl. Spectrosc. 1992; 46: 306.
21. Castinel C, Chiurdoglu J, Josien M-L, Lascombe J, Vanlanduyt E. Bull. Soc. Chim. Fr. 1958; 807.
22. Baker AW. J. Phys. Chem. 1956; 60: 1660.
23. Angell CL, Krueger PJ, Lauzon R, Leitch LC, Noack K, Smith RJD, Jones RN. Spectrochim. Acta 1959; 11: 926.
24. Hobza P, Spirko V, Selze HL, Schlag EW. J. Phys. Chem. A 1998; 102: 2501.
25. Muller-Dethlefs K, Hobza P. Chem. Rev. 2000; 100: 143.
26. Mann J. Secondary Metabolism. Oxford University Press: Oxford, 1996.
27. Fuhrer H, Kartha VB, Krueger PJ, Mantsch HH, Jones RN. Chem. Rev. 1972; 72: 439.
28. Devlin FJ, Stephens PJ. J. Phys. Chem. A 1999; 103: 527.
29. Nam SI, Min ES, Jung YM, Lee MS. Bull. Korean Chem. Soc. 2001; 22: 989.
30. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98W, Revision A.11. Gaussian: Pittsburgh, PA, 1998.
31. Goel A, Rao CNR. Faraday Trans. 1971; 2828.
32. Bruskov VI, Bushuev VN, Okon MS, Shulyupina NV, Poltev VI. Biopolymers 1989; 28: 589.