Gas-phase infrared spectra of vinyl selenol and vinyl tellurol

Journal of Physical Chemistry A

Volumn 113, Issue 46, 2009, Pages 12857-12863

  Benidar, Abdessamad ^a   Khater, Brahim ^b,c   Guillemin, Jean Claude ^b,c   Gámez, José A ^d   Yáñez, Manuel ^d  

^a UNIVERSITÉ DE RENNES 1   (France)

^b UNIV RENNES   (France)

^c UNIVERSITÉ EUROPÉENNE DE BRETAGNE   (France)

^d UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION BAND; ANHARMONIC VIBRATIONAL FREQUENCY; B3LYP DENSITY FUNCTIONAL; BASIS SETS; CHEMICAL INSTABILITY; COMBINATION BANDS; EXPERIMENTAL SPECTRA; FUNDAMENTAL BANDS; GASPHASE; HYDROGEN ATOMS; INFRARED SPECTRUM; LOCAL MINIMUMS; LONG OPTICAL PATH; MOLECULAR PLANES; RELATIVE ABUNDANCE; RELATIVE ENERGIES; ROOM TEMPERATURE; ROTAMERS; THEORETICAL RESULT; VINYLALCOHOL;

DENSITY FUNCTIONAL THEORY; GAS ABSORPTION; ORGANIC POLYMERS; TELLURIUM COMPOUNDS; VAPOR PRESSURE;

INFRARED SPECTROSCOPY;

COORDINATION COMPOUND; ORGANOSELENIUM DERIVATIVE; VINYL DERIVATIVE; VINYL SELENOL; VINYL TELLUROL;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; GAS; INFRARED SPECTROSCOPY; QUANTUM THEORY; VIBRATION;

COMPUTER SIMULATION; COORDINATION COMPLEXES; GASES; MODELS, CHEMICAL; ORGANOSELENIUM COMPOUNDS; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; VIBRATION; VINYL COMPOUNDS;

EID: 70449578924     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp906075j     Document Type: Article

References (36)

1. Mó, O.; Yáñez, M.; Decouzon, M.; Gal, J.-F.; Maria, P.-C.; Guillemin, J.-C. J. Am. Chem. Soc. 1999, 127, 4653, and references therein for the synthesis of compounds.
2. Mo, O.; Yáñez, M.; Decouzon, M.; Gal, J.-F.; Maria, P.-C.; Guillemin, J.-C.; El Chaouch, S. J. Am. Chem. Soc. 2001, 123, 6353, and references therein for the synthesis of compounds.
3. Guillemin, J.-C.; Riague, El H.; Gal, J.-F.; Maris, P.-C.; Mo, O.; Yáñez, M. Chem.-Eur. J. 2005, 11, 2145, and references therein for the synthesis of compounds.
4. Gaumont, A.-C.; Guillemin, J.-C.; Denis, J.-M. J. Chem. Soc., Chem. Commun. 1994, 945.
5. Demuynck, C.; Demuynck, M.; Paquer, D.; Vialle, J. Bull. Soc. Chim. Fr. 1966, 3306.
6. (a) Guillemin, J.-C.; Lassalle, L. Organometallics 1994, 13, 1525.
7. (b) Legoupy, S.; Lassalle, L.; Guillemin, J.-C.; Métail, V.; Sénio, A.; PfisterGuillouzo, G. Inorg. Chem. 1995, 35, 1466.
8. Benidar, A.; Le Doucen, R.; Guillemin, J.-C.; Mó, O.; Yáñez, M. J. Mol. Spectrosc. 2001, 205, 252.
9. Begue, D.; Benidar, A.; Pouchan, C. Chem. Phys. Lett. 2006, 430, 215.
10. Benidar, A.; Le Doučen, R.; Guillemin, J.-C.; Mó, O.; Yáñez, M. J. Phys. Chem. A 2002, 106, 6262.
11. Guillemin, J.-C.; Bouayad, A.; Vijaykumar, D. Chem. Commun. 2000, 1163.
12. Hawkins, M.; Andrews, L. J. Am. Chem. Soc. 1983, 105, 2523.
13. Rodler, M.; Blom, C. E.; Bauder, A. J. Am. Chem. Soc. 1984, 106, 4029.
14. Saito, S Chem. Phys. Lett 1976, 42, 399.
15. Koga, Y.; Nakanaga, T.; Sugawara, K.; Watanabe, A.; Sugie, M.; Takeo, H.; Kondo, S.; Matsumura, C. J. Mol. Spectrosc. 1991, 145, 315.
16. Almond, V.; Charles, S. W.; Macdonald, J. N.; Owen, N. L. J. Chem. Soc. Chem. Commun. 1977, 483.
17. Almond, V.; Charles, S. W.; Macdonald, J. N.; Owen, N. L. J. Mol. Struct. 1983, 100, 223.
18. Bajor, G.; Veszprémi, T.; Riague, El. H.; Guillemin, J.-C. Chem.-Eur. J. 2004, 10, 3649.
19. Khater, B.; Guillemin, J.-C.; Bajor, G.; Veszprémi, T. Inorg. Chem. 2008, 47, 1502.
20. Becke, A. D. J. Chem. Phys. 1993, 98, 1372.
21. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
22. Mebel, A. M.; Morokuma, K.; Lin, M. C. J. Chem. Phys. 1995, 103, 7414.
23. Ricca, A.; Bauschlicher, C. W. Chem. Phys. Lett 1995, 245, 150.
24. Llamas-Saiz, A. L.; Foces-Foces, C; Mó, O.; Yáñez, M.; Elguero, E.; Elguero, J. J. Comput. Chem. 1995, 16, 263.
25. Montgomery, J. A., Jr.; Frisch, M. J.; Ochterski, J.; Petersson, G. A J. Chem. Phys. 1999, 110, 2822.
26. Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 2001, 114, 108.
27. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; J. A. Montgomery, J.; 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.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, J.; Cammi, R.; Pomelli, C.; Ochterski, J.; 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 E.01 ed.; Gaussian, Inc.: Wallingford, CT, 2003.
28. Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 32973305.
29. Basis Set Exchange: A Community Database for Computational Sciences. Schuchardt, K. L.; Didier, B. T.; Elsethagen, T.; Sun, L.; Gurumoorthi, V.; Chase, J.; Li, J.; Windus, T. L. J. Chem. Inf. Model. 2007, 47, 1045-1052. Downloaded from https://bse.pnl.gov/bse/portal.
30. Rodler, M. J. Mol. Spectrosc. 1985, 114, 23.
31. (a) Tanimoto, M.; Almond, V.; Charles, S. N.; MacDonald, J. N.; Owen, N. L. J. Mol. Spectrosc. 1979, 78, 95.
32. (b) Tanimoto, M.; MacDonald, J. N. J. Mol. Spectrosc. 1979, 78, 106.
33. Almond, V.; Permanand, R. R.; MacDonald, J. N. J. Mol. Struct. 1985, 128, 337.
34. Khater, B.; Guillemin, J.-C.; Bajor, G.; Veszprémi, T. Inorg. Chem 2008, 47, 1502.
35. Petitprez, D.; Demaison, J.; Wlodarczak, G.; Riague, El H.; Guillemin, J.-C. J. Phys. Chem. A 2004, 108, 47.
36. Williams, G. A.; MacDonald, J. N.; Dunn, K. M.; Boggs, J. E. Spectrochim. Acta 1992, 48A, 783.