Novel infrared spectra for intermolecular dihydrogen bonding of the phenol-borane-trimethylamine complex in electronically excited state

Journal of Chemical Physics

Volumn 127, Issue 2, 2007, Pages

  Zhao, Guang Jiu ^a,b   Han, Ke Li ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTRA; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; EXCITED STATES; HYDROGEN BONDS; INFRARED SPECTROSCOPY;

BOND LENGTHS; GAS PHASE; PHENOL-BORANE-TRIMETHYLAMINE COMPLEX;

NITROGEN COMPOUNDS;

BORANE DERIVATIVE; METHYLAMINE; PHENOL; TRIMETHYLAMINE;

ABSORPTION; ARTICLE; CHEMISTRY; CONFORMATION; ELECTRONICS; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; PHYSICAL CHEMISTRY; THEORETICAL MODEL;

ABSORPTION; BORANES; CHEMISTRY, PHYSICAL; ELECTRONICS; HYDROGEN BONDING; METHYLAMINES; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PHENOL; SPECTROPHOTOMETRY, INFRARED;

EID: 34547188631     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2752808     Document Type: Article

References (53)

1. C. Desfraņois, S. Carles, and J. P. Schermann, Chem. Rev. (Washington, D.C.) 100, 3943 (2000).
2. M. Glasbeek and H. Zhang, Chem. Rev. (Washington, D.C.) 104, 1929 (2004).
3. E. T. J. Nibbering and T. Elsaesser, Chem. Rev. (Washington, D.C.) 104, 1887 (2004).
4. H. C. Chang, K. M. Lee, J. C. Jiang, M. S. Lin, J. S. Chen, I. J. B. Lin, and S. H. Lin, J. Chem. Phys. 117, 1723 (2002).
5. H. C. Chang, J. C. Jiang, C. M. Feng, Y. C. Yang, C. C. Su, P. J. Chang, and S. H. Lin, J. Chem. Phys. 118, 1802 (2003).
6. J. C. White and E. R. Davidson, J. Chem. Phys. 93, 8029 (1990).
7. T. K. Ghanty, V. N. Staroverov, P. R. Koren, and E. R. Davidson, J. Am. Chem. Soc. 122, 1210 (2000).
8. J.-Y. Liu, W.-H. Fan, K.-L. Han, D.-L. Xu, and N.-Q. Lou, J. Phys. Chem. A 107, 1914 (2003).
9. J.-Y. Liu, W.-H. Fan, K.-L. Han, W.-Q. Deng, D.-L. Xu, and N.-Q. Lou, J. Phys. Chem. A 107, 10857 (2003).
10. J. Zeng and D.-Q. Xie, J. Comput. Chem. 25, 813 (2004).
11. D.-Q. Xie and J. Zeng, J. Comput. Chem. 26, 1487 (2005).
12. A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 108, 10917 (2004).
13. S. Perun, A. L. Sobolewski, and W. Domcke, J. Phys. Chem. A 110, 9031 (2006).
14. C. A. Southern, D. H. Levy, G. M. Florio, A. T. Longarte, and S. Zwier, J. Phys. Chem. A 107, 4032 (2003).
15. G.-J. Zhao and K.-L. Han, J. Phys. Chem. A 111, 2469 (2007).
16. G.-J. Zhao and K.-L. Han, J. Phys. Chem. A (to be published).
17. G.-J. Zhao, J.-Y. Liu, L.-C. Zhou, and K.-L. Han, J. Phys. Chem. B (to be published).
18. I. Alkorta, I. Rozas, and J. Elguero, Chem. Soc. Rev. 27, 163 (1998).
19. R. Custelcean and J. E. Jackson, Chem. Rev. (Washington, D.C.) 101, 1963 (2001).
20. L. M. Epstein and E. S. Shubina, Coord. Chem. Rev. 231, 165 (2002).
21. C. F. Matta, J. Hernández-Trujillo, T.-H. Tang, and R. F. W. Bader, Chem.-Eur. J. 9, 1940 (2003).
22. S. Marincean and J. E. Jackson, J. Phys. Chem. A 108, 5521 (2004).
23. N. V. Belkova, E. S. Shubina, and L. M. Epstein, Acc. Chem. Res. 38, 624 (2005).
24. J. Fanfrlífk, M. Lepšik, D. Horinek, Z. Havlas, and P. Hobza, ChemPhysChem 7, 1100 (2006).
25. W. T. Klooster, T. F. Koetzle, P. E. M. Siegbahn, T. B. Richardson, and R. H. Crabtree, J. Am. Chem. Soc. 121, 6337 (1999).
26. G. J. Kubas, Proc. Natl. Acad. Sci. U.S.A. 104, 6901 (2007).
27. T. Kar and S. Scheiner, J. Chem. Phys. 119, 1473 (2003).
28. I. Alkorta, J. Elguero, O. Mo, M. Yanez, and J. E. Del Bene, J. Phys. Chem. A 106, 9325 (2002).
29. I. Alkorta, K. Zborowski, J. Elguero, and M. Solimannejad, J. Phys. Chem. A 110, 10279 (2006).
30. M. Solimannejad and S. Scheiner, J. Phys. Chem. A 109, 11933 (2005).
31. D. Wu, Z. R. Li, X. Y. Hao, A. F. Jalbout, L. Adamowicz, R. J. Li, and C. C. Sun, J. Chem. Phys. 120, 1330 (2004).
32. J. S. Li, F. Zhao, and F. Q. Jing, J. Chem. Phys. 116, 25 (2002).
33. S. J. Grabowski, T. L. Robinson, and J. Leszczynski, Chem. Phys. Lett. 386, 44 (2004).
34. L. Sobczyk, S. J. Grabowski, and T. M. Krygowski, Chem. Rev. (Washington, D.C.) 105, 3513 (2005).
35. M. L. Zhang, Z. J. Huang, and Z. J. Lin, J. Chem. Phys. 122, 134313 (2005).
36. S. L. Ling, W. B. Yu, Z. J. Huang, Z. J. Lin, M. Haraczyk, and M. Gutowski, J. Phys. Chem. A 110, 12282 (2006).
37. W. B. Yu, Z. J. Lin, and Z. J. Huang, ChemPhysChem 7, 828 (2006).
38. G. Naresh Patwari, T. Ebata, and N. Mikami, J. Chem. Phys. 113, 9885 (2000).
39. G. Naresh Patwari, T. Ebata, and N. Mikami, J. Chem. Phys. 114, 8877 (2001).
40. G. Naresh Patwari, T. Ebata, and N. Mikami, J. Chem. Phys. 116, 6056 (2002).
41. T. Ebata, N. Mizuochi, T. Watanabe, and N. Mikami, J. Phys. Chem. 100, 546 (1996).
42. A. Iwasaki, A. Fujii, T. Watanabe, T. Ebata, and N. Mikami, J. Phys. Chem. 100, 16053 (1996).
43. A. Fujii, T. Ebata, and N. Mikami, J. Phys. Chem. A 106, 8554 (2002).
44. G. Naresh Patwari, J. Phys. Chem. A 109, 2035 (2005).
45. G. Naresh Patwari, A. Fujii, and N. Mikami, J. Chem. Phys. 124, 241103 (2006).
46. G. Naresh Patwari, T. Ebata, and N. Mikami, Chem. Phys. 283, 193 (2002).
47. G. Naresh Patwari, T. Ebata, and N. Mikami, J. Phys. Chem. A 105, 8462 (2001).
48. F. Furche and R. Ahlrichs, J. Chem. Phys. 117, 7433 (2002).
49. J. L. Whitten, J. Chem. Phys. 58, 4496 (1973).
50. B. I. Dunlap, J. W. D. Conolly, and J. R. Sabin, J. Chem. Phys. 71, 3396 (1979).
51. O. Vahtras, J. E. Almlöf, and M. W. Feyereisen, Chem. Phys. Lett. 213, 514 (1993).
52. A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 100, 5829 (1994).
53. R. Ahlrichs, M. Bär, H. Horn, and C. Kölmel, Chem. Phys. Lett. 162, 165 (1989).