Microwave spectrum and intramolecular hydrogen bonding of propargyl selenol (HC - CCH2SeH)

Journal of Physical Chemistry A

Volumn 114, Issue 17, 2010, Pages 5537-5543

  Møllendal, Harald ^a   Konovalov, Alexey ^a   Guillemin, Jean Claude ^b,c  

^a UNIVERSITY OF OSLO   (Norway)

^b UNIV RENNES   (France)

^c UNIVERSITÉ EUROPÉENNE DE BRETAGNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIPERIPLANAR; CENTRIFUGAL DISTORTION CONSTANTS; CONFORMATIONAL PREFERENCES; CONFORMATIONAL PROPERTIES; ENERGY DIFFERENCES; HYDROGEN ATOMS; HYDROGEN BONDINGS; INTRAMOLECULAR HYDROGEN BOND; INTRAMOLECULAR HYDROGEN BONDING; ISOTOPOLOGUES; MICROWAVE SPECTRUM; PROPARGYL; QUANTUM CHEMICAL CALCULATIONS; ROTAMERS; SELENOLS; SMALL ENERGY; SPECTRAL RANGE; TRIPLE BONDS; TUNNELING FREQUENCY; TWO MIRRORS;

ATOMIC SPECTROSCOPY; ATOMS; CENTRIFUGATION; CONFORMATIONS; HYDROGEN; MICROWAVE SPECTROSCOPY; MICROWAVES; QUANTUM CHEMISTRY;

HYDROGEN BONDS;

EID: 77951872221     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp101245f     Document Type: Article

References (42)

1. Petitprez, D.; Demaison, J.; Wlodarczak, G.; Guillemin, J.-C.; Møllendal, H. J. Phys. Chem. A 2004, 108, 1403
2. Cole, G. C.; Møllendal, H.; Guillemin, J.-C. J. Phys. Chem. A 2006, 110, 2134
3. Walsh, A. D. Trans. Faraday Soc. 1949, 45, 179
4. Møllendal, H.; Mokso, R.; Guillemin, J.-C. J. Phys. Chem. A 2008, 112, 3053
5. Møllendal, H.; Konovalov, A.; Guillemin, J.-C. J. Phys. Chem. A 2009, 113, 6342
6. Hirota, E. J. Mol. Spectrosc. 1968, 26, 335
7. Bolton, K.; Sheridan, J. Spectrochim. Acta, Part A 1970, 26, 1001
8. Scappini, F.; Mäder, H.; Sheridan, J. Z. Naturforsch., A 1973, 28, 77
9. Scappini, F.; Favero, P. G.; Cervellati, R. Chem. Phys. Lett. 1975, 33, 499
10. Mirri, A. M.; Scappini, F.; Cervellati, R.; Favero, P. G. J. Mol. Spectrosc. 1976, 63, 509
11. Riague, E. H.; Guillemin, J.-C. Organometallics 2002, 21, 68
12. Guillemin, J.-C.; Bajor, G.; Riague, E. H.; Khater, B.; Veszprémi, T. Organometallics 2007, 26, 2507
13. Møllendal, H.; Dreizler, H.; Sutter, D. H. J. Phys. Chem. A 2007, 111, 11801
14. Møllendal, H. J. Phys. Chem. A 2007, 111, 1891
15. Cole, G. C.; Møllendal, H.; Khater, B.; Guillemin, J.-C. J. Phys. Chem. A 2007, 111, 1259
16. Askeland, E.; Møllendal, H.; Uggerud, E.; Guillemin, J.-C.; Aviles Moreno, J.-R.; Demaison, J.; Huet, T. R. J. Phys. Chem. A 2006, 110, 12572
17. Cole, G. C.; Møllendal, H.; Guillemin, J.-C. J. Phys. Chem. A 2006, 110, 9370
18. Møllendal, H.; Frank, D.; De Meijere, A. J. Phys. Chem. A 2006, 110, 6054
19. Møllendal, H.; Samdal, S. J. Phys. Chem. A 2006, 110, 2139
20. Møllendal, H. J. Phys. Chem. A 2005, 109, 9488
21. Cole, G. C.; Møllendal, H.; Guillemin, J.-C. J. Phys. Chem. A 2005, 109, 7134
22. Møllendal, H.; Leonov, A.; de Meijere, A. J. Phys. Chem. A 2005, 109, 6344
23. Wilson, E. B.; Smith, Z. Acc. Chem. Res. 1987, 20, 257
24. Møllendal, H. NATO ASI Ser., Ser. C 1993, 410, 277
25. Møllendal, H.; Cole, G. C.; Guillemin, J.-C. J. Phys. Chem. A 2006, 110, 921
26. Wodarczyk, F. J.; Wilson, E. B., Jr. J. Mol. Spectrosc. 1971, 37, 445
27. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al.Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.03; Gaussian, Inc.: Pittsburgh, PA, 2003.
28. Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618
29. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007
30. Peterson, K. A.; Dunning, T. H., Jr. J. Chem. Phys. 2002, 117, 10548
31. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
32. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
33. Watson, J. K. G. Vibrational Spectra and Structure; Elsevier: Amsterdam, 1977; Vol. 6.
34. Gordy, W.; Cook, R. L. Techniques of Chemistry, Vol. XVII: Microwave Molecular Spectra; John Wiley & Sons: New York, 1984; Vol. XVII.
35. Thomas, C. H. J. Chem. Phys. 1973, 59, 70
36. Nakagawa, J.; Okutani, H.; Hayashi, M. J. Mol. Spectrosc. 1982, 94, 410
37. Ray, B. S. Z. Phys. 1932, 78, 74
38. Sørensen, G. O. J. Mol. Spectrosc. 1967, 22, 325
39. Nakagawa, J.; Kuwada, K.; Hayashi, M. Bull. Chem. Soc. Jpn. 1976, 49, 3420
40. Helgaker, T.; Gauss, J.; Jørgensen, P.; Olsen, J. J. Chem. Phys. 1997, 106, 6430
41. Kraitchman, J. Am. J. Phys. 1953, 21, 17
42. Pauling, L. The Nature of the Chemical Bond; Cornell University Press: Ithaca, NY, 1960.