Acetylene-phenol complexes: A matrix isolation infrared and ab initio study

Journal of Molecular Structure

Volumn 920, Issue 1-3, 2009, Pages 369-376

  Sundararajan, K ^a   Ramanathan, N ^a  

^a INDIRA GANDHI CENTRE FOR ATOMIC RESEARCH   (India)

Author keywords

Ab initio; Acetylene; H bonded complexes; Infrared; Matrix isolation; Phenol

Indexed keywords

ACETYLENE; ARGON; HYDROGEN; HYDROGEN BONDS; INERT GASES; INFRARED SPECTROSCOPY; LIGHTING; OPTICAL SENSORS; OXYGEN; PROGRAMMING THEORY; PROTONS; SPECTRUM ANALYSIS;

AB INITIO; H-BONDED COMPLEXES; INFRARED; MATRIX ISOLATION; PHENOL;

PHENOLS;

EID: 59749100156     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.11.033     Document Type: Article

References (45)

1. Del Bene J.E. Hydrogen bonding. In: Schleyer P.V.R. (Ed). The Encyclopaedia of Computational Chemistry (1998), Wiley, New York 1263
2. Kim K.S., Tarakeshwar P., and Lee J.Y. Chem. Rev. 100 (2000) 4145
3. Nishio M., Hirota M., and Umezawa Y. The CH/pi Interaction, Evidence, Nature and Consequences (1998), Wiley-VCH, New York
4. Nishio M. Cryst. Eng. Commun. 6 (2004) 130
5. Matsuura H., Yoshida H., Hieda M., Yamanaka S., Harada T., Shin-ya K., and Ohno K. J. Am. Chem. Soc. 125 (2003) 13910
6. Steiner T. Angew. Chem. Int. Ed. 41 (2002) 48
7. Tanabe S., Ebata T., Fujii M., and Mikami N. Chem. Phys. Lett. 215 (1993) 347
8. Watanabe T., Ebata T., Tanabe S., and Mikami N. J. Chem. Phys. 105 (1996) 408
9. Gerhards M., Schmitt M., Kleinermanns K., and Stahl K. J. Chem. Phys. 104 (1996) 967
10. Berden G., Leo Meerts W., Schmitt M., and Kleinermanns K. J. Chem. Phys. 104 (1996) 972
11. Schu{combining double acute accent}tz M., Burgi T., Leutwyler S., and Fischer T. J. Chem. Phys. 98 (1993) 3763
12. Sodupe M., Oliva A., and Bertrán J. J. Phys. Chem. A 101 (1997) 9142
13. Courty A., Mons M., Dimicoli I., Piuzzi F., Brenner V., and Millié P. J. Phys. Chem. 102 (1998) 4890
14. Tsui H.H.Y., and van Mourik T. Chem. Phys. Lett. 350 (2001) 565
15. Dimitrova Y. J. Mol. Struct. (THEOCHEM) 455 (1998) 9
16. Parthasarathi R., Subramanian V., and Sathyamurthy N. J. Phys. Chem. A 109 (2005) 843
17. Bandyopadhyay I., Lee H.M., and Kim K.S. J. Phys. Chem. A 109 (2005) 1720
18. Dessent C.E.H., and Mu{combining double acute accent}ller-Dethlefs K. Chem. Rev. 100 (2000) 3999
19. Ebata T., Mizuochi N., Watanabe T., and Mikami N. J. Phys. Chem. 100 (1996) 546
20. Pejov L. Chem. Phys. 285 (2002) 177
21. Schiefke A., Deusen C., Jacoby C., Gerhards M., Schmitt M., Kleinermanns K., and Hering P. J. Chem. Phys. 102 (1995) 9197
22. Iwasaki A., Fujii A., Watanabe T., Ebata T., and Mikami N. J. Phys. Chem. 100 (1996) 16053
23. Gebicki J., and Krantz A. J. Am. Chem. Soc. 106 (1984) 8093
24. Gebicki J., and Krantz A. J. Am. Chem. Soc. 106 (1984) 8097
25. Wierzejewska M., and Ratajczak H. J. Mol. Struct. 416 (1997) 121
26. Fujii A., Ebata T., and Mikami N. J. Phys. Chem. A 106 (2002) 8554
27. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94, Revision D.1, Gaussian Inc., Pittsburgh, PA, 1995.
28. Boys S.F., and Bernadi F. Mol. Phys. 19 (1970) 553
29. Bader R.F.W. Atoms in Molecules. A Quantum Theory (1994), Clarendon Press, Oxford
30. Bone R.G.A., and Bader R.F.W. J. Phys. Chem. 100 (1996) 10892
31. Biegle-Koning F., Bader R.F.W., and Tang W.-H. J. Comput. Chem. 96 (2000) 6796 AIM 2000, Version 1
32. Bemish R.J., Block P.A., Pederson L.G., Yang W., and Miller R.E. J. Chem. Phys. 99 (1993) 8585
33. Engdahl A., and Nelander B. Chem. Phys. Lett. 100 (1983) 129
34. Sundararajan K., and Viswanathan K.S. J. Mol. Struct. 798 (2006) 109
35. Evans J.C. Spectrochim. Acta 16 (1960) 1382
36. Green J.H.S. J. Chem. Soc. 16 (1961) 2236
37. Tso T.-L., and Lee E.K.C. J. Phys. Chem. 89 (1985) 1612
38. Turi L., and Dannenberg J.J. J. Phys. Chem. 97 (1993) 7899
39. Jemmis E.D., Giju K.T., Sundararajan K., Sankaran K., Vidya V., Viswanathan K.S., and Leszczynski J. J. Mol. Struct. 510 (1999) 59
40. Sundararajan K., Sankaran K., Viswanathan K.S., Kulkarni A.D., and Gadre S.R. J. Phys. Chem. A 106 (2002) 1504
41. Sundararajan K., Viswanathan K.S., Kulkarni A.D., and Gadre S.R. J. Mol. Struct. 613 (2002) 209
42. Jovan Jose K.V., Gadre S.R., Sundararajan K., and Viswanathan K.S. J. Chem. Phys. 127 (2007) 104501
43. Plokhotnichenko A.M., Radchenko E.D., Blagoi{dotless}̌ Yu.P., and Karachevtsev V.A. Low Temp. Phys. 27 (2001) 666
44. Sundararajan K., and Ramanathan N. J. Mol. Struct. 833 (2007) 150
45. Krajewska M., Olbert-Majkut A., and Mielke Z. Phys. Chem. Chem. Phys. 4 (2002) 4305