Conformational composition of cyclopentadienylphosphine investigated by microwave spectroscopy and quantum chemical calculations

Journal of Physical Chemistry A

Volumn 110, Issue 3, 2006, Pages 921-925

  Møllendal, Harald ^a   Cole, George C ^a   Guillemin, Jean Claude ^b  

^a UNIVERSITY OF OSLO   (Norway)

^b UNIV RENNES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOPENTADIENE RINGS; CYCLOPENTADIENYLPHOSPHINE; QUANTUM CHEMICAL CALCULATIONS; STARK-MODULATION MICROWAVE SPECTROSCOPY;

CONFORMATIONS; HYDROGEN BONDS; LIGHT MODULATION; MICROWAVE SPECTROSCOPY; QUANTUM THEORY;

PHOSPHORUS COMPOUNDS;

CYCLOPENTANE DERIVATIVE; PHOSPHINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; METHODOLOGY; MICROWAVE RADIATION; QUANTUM THEORY; SPECTROSCOPY;

CYCLOPENTANES; HYDROGEN BONDING; MICROWAVES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHOSPHINES; QUANTUM THEORY; SPECTRUM ANALYSIS;

EID: 33644609042     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp055759h     Document Type: Article

References (45)

1. Kojima, T.; Breig, E. L.; Lin, C. C. J. Chem. Phys. 1961, 35, 2139.
2. Groner, P.; Johnson, R. D.; Durig, J. R. J. Chem. Phys. 1988, 88, 3456.
3. Marstokk, K. M.; Møllendal, H. Acta Chem. Scand., Ser. A 1983, A37, 755.
4. Cohen, E. A.; McRae, G. A.; Goldwhite, H.; Di Stefano, S.; Beaudet, R. A. Inorg. Chem. 1987, 26, 4000.
5. Dréan, P.; Colmont, J.-M.; Lesarri, A.; López, J. C. J. Mol. Spectrosc. 1996, 176, 180.
6. Dréan, P.; Le Guennec, M.; López, J. C.; Alonso, J. L.; Denis, J. M.; Kreglewski, M.; Demaison, J. J. Mol. Spectrosc. 1994, 166, 210.
7. Marstokk, K. M.; Møllendal, H. Acta Chem. Scand. 1996, 50, 875.
8. Demaison, J.; Guillemin, J.-C.; Møllendal, H. Inorg. Chem. 2001, 40, 3719.
9. Møllendal, H.; Demaison, J.; Guillemin, J.-C. J. Phys. Chem. A 2002, 106, 11481.
10. Mollendal, H.; Demaison, J.; Petitprez, D.; Wlodarczak, G.; Guillemin, J.-C. J. Phys. Chem. A 2005, 109, 115.
11. Cole, G. C.; Møllendal, H.; Guillemin, J.-C. J. Phys. Chem. A 2005, 109, 7134.
12. Walsh, A. D. Trans. Faraday Soc. 1949, 45, 179.
13. El Chaouch, S.; Guillemin, J.-C.; Karpati, T.; Veszprémi, T. Organometallics 2001, 20, 5405.
14. Pye, C. C.; Xidos, J. D.; Burnell, D. J.; Poirier, R. A. Can. J. Chem. 2003, 81, 14.
15. Schoeller, W. W. Z. Naturforsch., B: Anorg. Chem., Org. Chem. 1983, 38B, 1635.
16. Schoeller, W. W. Z. Naturforsch., B: Anorg. Chem., Org. Chem. 1984, 39B, 1767.
17. West, P.; Woodville, M. C.; Rausch, M. D. J. Am. Chem. Soc. 1969, 91, 5649.
18. Davison, A.; Rakita, P. E. Inorg. Chem. 1970, 9, 289.
19. Stobart, S. R.; Holmes-Smith, R. D. J. Chem. Soc., Dalton Trans.: Inorganic Chemistry (1972-1999) 1980, 159.
20. Jutzi, P. Chem. Rev. 1986, 86, 983.
21. Hagen, A. P.; Russo, P. J. J. Organomet. Chem. 1973, 51, 125.
22. Cradock, S.; Ebsworth, E. A. V.; Moretto, H.; Rankin, D. W. H. J. Chem. Soc., Dalton Trans.: Inorganic Chemistry (1972-1999) 1975, 390.
23. Bonny, A.; Stobart, S. R.; Angus, P. C. J. Chem. Soc., Dalton Trans.: Inorganic Chemistry (1972-1999) 1978, 938.
24. Stobart, S. R. J. Organomet. Chem. 1972, 43, C26.
25. Angus, P. C.; Stobart, S. R. J. Chem. Soc., Dalton Trans.: Inorganic Chemistry (1972-1999) 1973, 2374.
26. Jutzi, P.; Saleske, H. Chem. Ber. 1984, 117, 222.
27. Jutzi, P.; Kuhn, M. Chem. Ber. 1974, 107, 1228.
28. Jutzi, P.; Herzog, F.; Kuhn, M. J. Organomet. Chem. 1975, 93, 191.
29. Deschamps, B.; Mathey, F. Phosphorus Sulfur 1983, 17, 317.
30. Møllendal, H.; Leonov, A.; de Meijere, A. J. Phys. Chem. A 2005, 109, 6344.
31. Grønås, T. 2003, personal communication.
32. 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.; 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.
33. Helgaker, T.; Gauss, J.; Jørgensen, P.; Olsen, J. J. Chem. Phys. 1997, 106, 6430.
34. Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618.
35. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
36. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
37. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
38. Watson, J. K. G. Vibrational Spectra and Structure; Elsevier: Amsterdam, 1977; Vol. 6.
39. Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764.
40. Sørensen, G. O. ROTFIT. 1972, personal communication.
41. Gordy, W.; Cook, R. L. Techniques of Chemistry, Vol. 56: Microwave Molecular Spectra; John Wiley & Sons; New York, 1984; Vol. XVII.
42. Esbitt, A. S.; Wilson, E. B. Rev. Sci. Instrum. 1963, 34, 901.
43. Wilson, E. B., personal communication.
44. Townes, C. H.; Schawlow, A. L. Microwave Spectroscopy; McGraw-Hill: New York, 1955.
45. Pauling, L. The Nature of the Chemical Bond; Cornell University Press: New York, 1960.