Rotational dynamics of nondipolar probes in ethanols: How does the strength of the solute-solvent hydrogen bond impede molecular rotation?

Journal of Chemical Physics

Volumn 119, Issue 9, 2003, Pages 4768-4774

  Dutt, G B ^a   Ghanty, T K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; ETHANOL; FLUORESCENCE; GROUND STATE; HYDROGEN BONDS; MOLECULAR ORIENTATION; OPTIMIZATION; ORGANIC COMPOUNDS; TEMPERATURE; VISCOSITY;

AB INITIO MOLECULAR ORBITAL METHODS; DIMETHYLDIOXODIPHENYLPYRROLOPYRROLE; MOLECULAR ROTATION; NONDIPOLAR PROBES; ROTATIONAL DYNAMICS; TRIFLUOROETHANOL;

MOLECULAR DYNAMICS;

EID: 0141564593     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1595644     Document Type: Article

References (44)

1. G. A. Jeffrey, An Introduction to Hydrogen Bonding (Oxford University Press, New York, 1997).
2. G. R. Desiraju and T. Steiner, The Weak Hydrogen Bond in Structural Chemistry and Biology (Oxford University Press, Oxford, 1999).
3. G. R. Desiraju, Acc. Chem. Res. 35, 565 (2002).
4. G. B. Dutt, V. J. P. Srivatsavoy, and A. V. Sapre, J. Chem. Phys. 110, 9623 (1999).
5. G. B. Dutt, V. J. P. Srivatsavoy, and A. V. Sapre, J. Chem. Phys. 111, 9705 (1999).
6. G. B. Dutt and G. Rama Krishna, J. Chem. Phys. 112, 4676 (2000).
7. G. B. Dutt, J. Chem. Phys. 113, 11154 (2000).
8. G. B. Dutt and T. K. Ghanty, J. Chem. Phys. 116, 6687 (2002).
9. G. B. Dutt and T. K. Ghanty, J. Chem. Phys. 118, 4127 (2003).
10. G. R. Fleming, Chemical Applications of Ultrafast Spectroscopy (Oxford University Press, London, 1986), and reference therein.
11. D. Kivelson, Rotational Dynamics of Small and Macromolecules, edited by Th. Dorfmüller and R. Pecora (Springer-Verlag, Berlin, 1987).
12. K. G. Spears and K. M. Steinmetz, J. Phys. Chem. 89, 3623 (1985).
13. R. S. Moog, D. L. Bankert, and M. Maroncelli, J. Phys. Chem. 97, 1496 (1993).
14. M. G. Kurnikova, N. Balabai, D. H. Waldeck, and R. D. Coalson, J. Am. Chem. Soc. 120, 6121 (1998).
15. D. Kivelson and K. G. Spears, J. Phys. Chem. 89, 1999 (1985).
16. L. A. Phillips, S. P. Webb, and J. H. Clark, J. Chem. Phys. 83, 5810 (1985).
17. J. D. Simon and P. A. Thompson, J. Chem. Phys. 92, 2891 (1990).
18. G. B. Dutt, S. Doraiswamy, N. Periasmy, and B. Venkataraman, J. Chem. Phys. 93, 8498 (1990).
19. D. S. Alavi, R. S. Hartman, and D. H. Waldeck, J. Chem. Phys. 94, 4509 (1991).
20. D. S. Alavi, R. S. Hartman, and D. H. Waldeck, J. Chem. Phys. 95, 6770 (1991).
21. R. S. Hartman, D. S. Alavi, and D. H. Waldeck, J. Phys. Chem. 95, 7872 (1991).
22. R. S. Hartman, and D. H. Waldeck, J. Phys. Chem. 98, 1386 (1994).
23. R. S. Hartman, W. M. Konitsky, D. H. Waldeck, Y. J. Chang, and E. W. Castner, Jr., J. Chem. Phys. 106, 7920 (1997).
24. M.-L. Horng, J. A. Gadecki, and M. Maroncelli, J. Phys. Chem. A 101, 1030 (1997).
25. G. B. Dutt, M. K. Singh, and A. V. Sapre, J. Chem. Phys. 109, 5994 (1998).
26. G. B. Dutt and S. Raman, J. Chem. Phys. 114, 6702 (2001).
27. G. B. Dutt, G. Rama Krishna, and S. Raman, J. Chem. Phys. 115, 4732 (2001).
28. G. B. Dutt, T. K. Ghanty, and M. K. Singh, J. Chem. Phys. 115, 10845 (2001).
29. K. Wiemers and J. F. Kauffman, J. Phys. Chem. A 104, 451 (2000).
30. D. S. Alavi and D. H. Waldeck, J. Chem. Phys. 94, 6196 (1991).
31. D. S. Alavi and D. H. Waldeck, J. Chem. Phys. 98, 3580 (1993).
32. D. V. O'Connor and D. Phillips, Time-Correlated Single Photon Counting (Academic, London, 1984).
33. P. R. Bevington, Data Reduction and Error Analysis for the Physical Sciences (McGraw-Hill, New York, 1969).
34. J. R. Knutson, J. M. Beecham, and L. Brand, Chem. Phys. Lett. 102, 501 (1983).
35. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, K. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, Jr., J. Comput. Chem. 14, 1347 (1993).
36. L. Andrussow and B. Schramm, in Landolt-Bornstein Transportphanomene I, edited by Klaus Schafer (Springer-Verlag, Berlin, 1969).
37. Ki-Sub Kim and H. Lee, J. Chem. Eng. Data 47, 216 (2002).
38. J. Timmermans, Physico-Chemical Constants of Pure Organic Compounds (Elsevier, Amsterdam, 1950). 508.
39. F. Perrin, J. Phys. Radium 5, 497 (1934).
40. C. M. Hu and R. Zwanzigz, J. Chem. Phys. 60, 4354 (1974).
41. A. Einstein, Investigations on the Theory of Brownian Movement (Dover, New York, 1956).
42. A. Gierer and K. Wirtz, Z. Naturforsch. A 8A, 532 (1953).
43. J. L. Dote, D. Kivelson, and R. N. Schwartz, J. Phys. Chem. 85, 2169 (1981).
44. M. Adachi and S. Nakamura, J. Phys. Chem. 98, 1796 (1994).