The gas phase conformers and vibrational spectra of valine, leucine and isoleucine: An ab initio study

Journal of Molecular Structure: THEOCHEM

Volumn 953, Issue 1-3, 2010, Pages 28-38

  Dokmaisrijan, Supaporn ^a   Lee, Vannajan Sanghiran ^b   Nimmanpipug, Piyarat ^b  

^a WALAILAK UNIVERSITY   (Thailand)

^b CHIANG MAI UNIVERSITY   (Thailand)

Author keywords

Conformational study; Conformer; Isoleucine; Leucine; Valine; Vibrational spectra

Indexed keywords

EID: 77954029114     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.04.033     Document Type: Article

References (44)

1. E. Kassab, J. Langlet, E. Evleth, Y. Akacem, J. Mol. Struct. (Theochem) 531 (2000) 267-282.
2. Pacios L.F., Gómez P.C. J. Comp. Chem. 2001, 22:702-716.
3. Pacios L.F., Gálvez O., Gómez P.C., Phys J. J. Phys. Chem. A 2001, 105:5232-5241.
4. Balabin R.M. Chem. Phys. Lett. 2009, 479:195-200.
5. W. Wang, X. Pu, W. Zheng, N.-B. Wong, A. Tian, J. Mol. Struct. (Theochem) 626 (2003) 127-132.
6. Aikens C.M., Gordon M.S. J. Am. Chem. Soc. 2006, 128:12835-12850.
7. Császár A.G. J. Phys. Chem. 1996, 100:3541-3551.
8. Frimand K., Bohr H., Jalkanen K.J., Suhai S. Chem. Phys. 2000, 255:165-194.
9. Powis I., Rennie E.E., Hergenhahn U., Kugeler O., Bussy-Socrate R. J. Phys. Chem. A 2003, 107:25-34.
10. Blanco S., Lesarri A., López J.C., Alonso J.L. J. Am. Chem. Soc. 2004, 126:11675-11683.
11. Degtyarenko I.M., Jalkanen K.J., Gurtovenko A.A., Nieminen R.M. J. Phys. Chem. B 2007, 111:4227-4234.
12. Mullin J.M., Gordon M.S. J. Phys. Chem. B 2009, 113:8657-8669.
13. Mullin J.M., Gordon M.S. J. Phys. Chem. B 2009, 113:14413-14420.
14. Ellzy M.W., Jensen J.O., Hameka H.F., Kay J.G. Spectrochim. Acta Part A 2003, 59:2619-2633.
15. Kapitán J., Baumruk V., Kopecký V., Bour P. J. Phys. Chem. A 2006, 110:4689-4696.
16. A.G. Császár, J. Mol. Struct. (Theochem) 346 (1995) 141-152.
17. P. Selvarengan, P. Kolandaivel, J. Mol. Struct. (Theochem) 671 (2004) 77-86.
18. Feyer V., Plekan O., Richter R., Coreno M., Prince K.C., Carravetta V. J. Phys. Chem. A 2008, 112:7806-7815.
19. Lambie B., Ramaekers R., Maes G. J. Phys. Chem. A 2004, 108:10426-10433.
20. Jeon I.-S., Ahn D.-S., Park S.-W., Lee S., Kim S.K. Chem. Phys. Lett. 2005, 403:72-76.
21. Jeon I.-S., Ahn D.-S., Park S.-W., Lee S., Kim B. Int. J. Quant. Chem. 2005, 101:55-66.
22. A. Fernández-Ramos, E. Cabaleiro-Lago, J.M. Hermida-Ramón, E. Martínez-Núñez, A. Peña-Gallego, J. Mol. Struct. (Theochem), 498 (2000) 191-200.
23. Pawlukoj A., Leciejewicz J., Ramirez-Cuesta A.J., Nowicka-Scheibe J. Spectrochim. Acta Part A 2005, 61:2474-2481.
24. J.Cz. Dobrowolski, J.E. Rode, J. Sadlej, J. Mol. Struct. (Theochem), 810 (2007) 129-134.
25. Wilke J.J., Lind M.C., Schaefer H.F., Császár A.G., Allen W.D. J. Chem. Theory Comput. 2009, 5:1511-1523.
26. Bachrach S.M., Nguyen T.T., Demoin D.W. J. Phys. Chem. A 2009, 113:6172-6181.
27. Tiwari S., Mishra P.C. Spectrochim. Acta Part A 2009, 73:719-729.
28. P. Tarakeshwar, S. Manogaran, J. Mol. Struct. (Theochem) 305 (1994) 205-224.
29. Pecul M. Chem. Phys. Lett. 2006, 418:1-10.
30. Maul R., Preuss M., Ortmann F., Hannewald K., Bechstedt F. J. Phys. Chem. A 2007, 111:4370-4377.
31. Hernández, F. Pflüger, M. Nsangou, M. Ghomi, J. Phys. Chem. B 113 (2009) 3169-3178.
32. Császár A.G., Perczel A. Progr. Biophys. Mol. Biol. 1999, 71:243-309.
33. Chakrabarti P., Pal D. Prog. Biophys. Mol. Bio. 2001, 76:1-102.
34. Thirumoorthy K., Nandi N. J. Phys. Chem. B 2006, 110(17):8840-8849.
35. Kishor S., Dhayal S., Mathur M., Ramaniah L.M. Mol. Phys. 2008, 106:2289-2300.
36. S. Shirazian, S. Gronert, J. Mol. Struct. (Theochem) 397 (1997) 107-112.
37. Stepanian S.G., Reva I.D., Radchenko E.D., Adamowicz L. J. Phys. Chem. A 1999, 103:4404-4412.
38. Rai A.K., Song C., Lin Z. Spectrochim. Acta Part A 2009, 73:865-870.
39. M.N. Barroso, E.S. Cerutti, A.M. Rodríguez, E.A. Jáuregui, O. Farkas, A. Perczel, R.D. Rnriz, J. Mol. Struct. (Theochem) 548 (2001) 21-37.
40. Lesarri A., Sánchez R., Cocinero E.J., López J.C., Alonso J.L. J. Am. Chem. Soc. 2005, 127:12952-12956.
41. Linder R., Nispel M., Häber T., Kleinermanns K. Chem. Phys. Lett. 2005, 409:260.
42. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh PA, 2003.
43. J.B. Foresman, Æ. Frisch, Exploring Chemistry with Electronic Structure Methods, second ed., Gaussian, Inc., USA, 1996.
44. R.J. Petrella, M. Karplus, J. Mol. Biol. 312 (2001) 1161-1175.