Structural and conformational properties of 2-propenylgermane (allylgermane) studied by microwave and infrared spectroscopy and quantum chemical calculations

Journal of Physical Chemistry A

Volumn 109, Issue 17, 2005, Pages 3822-3829

  Horn, Anne ^a   Møllendal, Harald ^a   Demaison, Jean ^b   Petitprez, Denis ^b   Moreno, Juan Ramon Aviles ^b   Benidar, Abdessamad ^c   Guillemin, Jean Claude ^d  

^a UNIVERSITY OF OSLO   (Norway)

^b UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^c Laboratoire PALMS   (France)

^d CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; INFRARED SPECTROSCOPY; ISOMERS; MICROWAVE SPECTROSCOPY; PHASE EQUILIBRIA; QUANTUM THEORY; REDUCTION;

CONFORMATIONAL PROPERTIES; GERMYL GROUP; MICROWAVE TRANSITION; ROTAMERS;

ORGANIC COMPOUNDS;

2 PROPENYLGERMANE; 2-PROPENYLGERMANE; GERMANIUM; ORGANOMETALLIC COMPOUND;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; FOURIER ANALYSIS; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; MICROWAVE RADIATION; PHYSICAL CHEMISTRY; QUANTUM THEORY;

CHEMISTRY, PHYSICAL; FOURIER ANALYSIS; GERMANIUM; MICROWAVES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; SOFTWARE; SPECTROPHOTOMETRY, INFRARED;

EID: 18844395039     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044294c     Document Type: Article

References (47)

1. Ohno, K.; Matsuura, H.; Endo, Y.; Hirota, E. J. Mol. Spectrosc. 1986, 118, 1.
2. Kattenberg, H. W.; Gabes, W.; Oskam, A. J. Mol. Spectrosc. 1972, 44, 425.
3. Le Guennec, M.; Chen, W.; Wlodarczak, G.; Demaison, J.; Eujen, R.; Bürger, H. J. Mol. Spectrosc. 1991, 150, 493.
4. Demaison, J.; Wlodarczak, G.; Burie, J.; Bürger, H. J. Mol Spectrosc. 1990, 140, 322.
5. Cradock, S.; McKean, D. C; MacKenzie, M. W. J. Mol. Struct. 1981, 74, 265.
6. Wolf, S. N.; Krisher, L. C. J. Chem. Phys. 1972, 56, 1040.
7. Thomas, E. C.; Laurie, V. W. J. Chem. Phys. 1966, 44, 2602.
8. Laurie, V. W. J. Chem. Phys. 1959, 30, 1210.
9. Durig, J. R.; Lopata, A. D.; Groner, P. J. Chem. Phys. 1977, 66, 1888.
10. Epple, K. J.; Rudolph, H. D. J. Mol. Spectrosc. 1992, 152, 355.
11. Durig, J. R.; Kizer, K. L.; Li, Y. S. J. Am. Chem. Soc. 1974, 96, 7400.
12. Krisher, L. C.; Watson, W. A.; Morrison, J. A. J. Chem. Phys. 1974, 60, 3417.
13. Nakagawa, J.; Hayashi, M. Bull. Chem. Soc. Jpn. 1976, 49, 3441.
14. Bürger, H.; Rahner, A. Vib. Spectra Struct. 1990, 18, 217.
15. Quan, M. L.; Cadiot, P. Bull. Soc. Chim. France 1965, 45.
16. Orain, D.; Guillemin, J.-C. J. Org. Chem. 1999, 64, 3563.
17. Massol, M.; Barrau, J.; Rivière, P.; Satgé, J. J. Organomet. Chem. 1971, 30, 27.
18. Ponomarenko, V. A.; Zueva, G. Y.; Andreev, N. S. Izv. Akad. Nauk SSSR, Ser. Khim. 1961, 1758.
19. Demaison, J.; Guillemin, J.-C.; Moøllendal, H. Inorg. Chem. 2001, 40, 3719.
20. Guirgis, G. A.; Marstokk, K.-M.; Moøllendal, H. Acta Chem. Scand. 1991, 45, 482.
21. Groønås, T. Personal communication, 2003.
22. Kassi, S.; Petitprez, D.; Wlodarczak, G. J. Mol. Struct. 2000, 517-518, 375.
23. White, J. U. J. Opt. Soc. Am. 1942, 32, 285.
24. Hampel, C.; Peterson, K. A.; Werner, H. J. Chem. Phys. Lett. 1992, 190, 1.
25. 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, ;. 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.
26. Moøller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618.
27. Helgaker, T.; Gauss, J.; Joørgensen, P.; Olsen, J. J. Chem. Phys. 1997, 106, 6430.
28. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
29. Peterson, K. A.; Dunning, T. H., Jr. J. Chem. Phys. 2002, 117, 10548.
30. Peterson, K. A.; Figgen, D.; Goll, E.; Stall, H.; Dolg, M. J. Chem. Phys. 2003, 119, 11113.
31. Martin, J. M. L.; Sundermann, A. J. Chem. Phys. 2001, 114, 3408.
32. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
33. Watson, J. K. G. Vibrational Spectra and Structure; Elsevier: Amsterdam, 1977; Vol. 6.
34. Hehre, W. J.; Radom, L.; Schleyer, P. v. R. Ab Initio Molecular Orbital Theory; John Wiley & Sons: New York, 1986.
35. Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
36. Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764.
37. Baboul, A. G.; Curtiss, L. A.; Redfern, P. C.; Raghavachari, K. J. Chem. Phys. 1999, 110, 7650.
38. Soørensen, G. O. ROTFIT. Available by anonymous FTP at address FTP://kl5axp.ki.ku.dk.
39. Esbitt, A. S.; Wilson, E. B. Rev. Sci. Instrum. 1963, 34, 901.
40. Woods, R. C. J. Mol. Spectrosc. 1966, 21, 4.
41. Kondo, S.; Hirota, E.; Morino, Y. J. Mol. Spectrosc. 1968, 28, 471.
42. Guirgis, G. A.; Hashed, Y. E.; Gounev, T. K.; Durig, J. R. Struct. Chem. 1998, 9, 265.
43. Durig, D. T.; Yu, Z. J. Mol. Struct. 2000, 550-557, 481.
44. Gallinella, E.; Cadioli, B. Vib. Spectrosc. 1997, 13, 163.
45. Feller, S. E.; Yin, D.; Pastor, R. W.; MacKerell, A. D., Jr. Biophys. J. 1997, 73, 2269.
46. Beagley, B.; Foord, A.; Moutran, R.; Roszondai, B. J. Mol. Struct. 1977, 42, 117.
47. Imachi, M.; Nakagawa, J.; Hayashi, M. J. Mol. Struct. 1983, 102, 403.