Theoretical calculation and vibrational spectral analysis of l-arginine trifluoroacetate

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 2, 2008, Pages 663-668

  Sun, Z H ^a   Zhang, L ^a   Xu, D ^a   Wang, X Q ^a   Liu, X J ^a   Zhang, G H ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

Absorption edge; Hydrogen bonds; l Arginine trifluoroacetate; Vibrational spectra

Indexed keywords

ABSORPTION; ABSORPTION SPECTROSCOPY; AMINO ACIDS; BINDING SITES; FOURIER TRANSFORMS; HYDROGEN; HYDROGEN BONDS; MOLECULAR SPECTROSCOPY; OPTICAL PROPERTIES; POSITIVE IONS; POWDERS; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS; VIBRATIONAL SPECTRA;

EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATIONS; FOURIER TRANSFORM INFRARED; INFRARED SPECTRUM; INTERMOLECULAR HYDROGEN BONDS; INTERMOLECULAR INTERACTIONS; L-ARGININE TRIFLUOROACETATE; NLO CRYSTALS; NONLINEAR OPTICAL CRYSTALS; NONLINEAR OPTICAL PROPERTIES; RAMAN SPECTRUM; SPECTRAL ANALYSES; THEORETICAL CALCULATIONS; TRIFLUOROACETATE;

INFRARED SPECTROSCOPY;

ARGININE; TRIFLUOROACETIC ACID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; CRYSTALLIZATION; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; VIBRATION;

ARGININE; CRYSTALLIZATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; TRIFLUOROACETIC ACID; VIBRATION;

EID: 54049083110     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.01.024     Document Type: Article

References (32)

1. Dmitriev V.G., Gurzadyan G.G., and Nicogosyan D.N. Handbook of Nonlinear Optical Crystals (1999), Springer-Verlag, New York
2. Wong M.S., Bosshard C., Pan F., and Gunter P. Adv. Mater. 8 (1996) 677
3. Nicoud J.F., and Twieg R.J. In: Chemla D.S., and Zyss J.E. (Eds). Nonlinear Optical Properties of Organic Molecules and Crystals (1987), Academic Press, London
4. Xu D., Jiang M.H., and Tan Z.K. Acta Chim. Sin. 41 (1983) 570 (in Chinese)
5. Monaco S.B., Davis L.E., Velsko S.P., Wang F.T., Eimerl D., and Zalkin A. J. Cryst. Growth 85 (1987) 252
6. Xu D., Wang X.Q., Yu W.T., Xu S.X., and Zhang G.H. J. Cryst. Growth 253 (2003) 481
7. Yoshida H., Nakatsuka M., et al. High-energy operation of a stimulated Brillourin scattering mirror in an l-arginine phosphate monohydrate crystal. Appl. Opt. 36 (1997) 7783
8. Marchewka M.K., Debrus S., and Ratajczak H. Cryst. Growth Des. 3 (2003) 587
9. Rumi M., Zerbi G., and Mullen K. J. Chem. Phys. 108 (1998) 8662
10. Del Zoppo M., Castiglioni C., Tommasini M., Mondini P., and Zerbi G. Synth. Met. 102 (1999) 1582
11. Quinet O., and Champagne B. J. Chem. Phys. 115 (2001) 6293
12. Zyss J., Brasselet S., Thalladi V.R., and Desiraju G.R. J. Chem. Phys. 109 (1998) 658
13. Thalladi V.R., Boese R., Brasselet S., Ledoux I., Zyss J., Jetti R.K.R., and Desiraju G.R. Chem. Commun. 19 (1997) 1841
14. Edsall J.T. J. Chem. Phys. 4 (1936) 1
15. Edsall J.T. J. Am. Chem. Soc. 65 (1943) 1767
16. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., 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., and Pople J.A. Gaussian 03, Revision B. 05 (2003), Gaussian Inc, Pittsburgh PA
17. Wright J.D. Molecular Crystals (1987), Cambridge University Press, Cambridge
18. Colthup N.B., Daly L.H., and Wiberely S.E. Introduction to Infrared and Raman Spectroscopy (1990), Academic Press, New York
19. Nakamoto K. Infrared and Raman Spectra of Inorganic and Coordination Compounds (1978), Wily, New York
20. Wu K., Liu C., and Mang C. Opt. Mater. 29 (2007) 1129
21. Dollish F.R., Fately W.G., and Bentley F.F. Characteristic Raman Frequencies of Organic-Compounds (1973), Wiley, New York
22. Edsall J.T., Otvos J.W., and Rich A. J. Am. Chem. Soc. 72 (1950) 474
23. Dioumaev A.K. Biochemistry (Moscow) 66 (2001) 1269
24. Bellamy L.J. The Infrared Spectra of Complex Molecules (1975), Chapman and Hall/Wiley, London/New York
25. Fuson N., Josien M.L., and Jones E.A. J. Chem. Phys. 20 (1952) 1627
26. Pal T., and Kar T. J. Cryst. Growth 234 (2002) 267
27. Natarajan S., Britto S.M., and Ramachandran E. Cryst. Growth Des. 6 (2006) 137
28. Nakamoto K., Margoshes M., and Rundle R.E. J. Am. Chem. Soc. 77 (1955) 6480
29. Hadzi D., Obradovic M., Orel B., and Solmajer T. J. Mol. Struct. 14 (1972) 439
30. Wu K., and Chen C. Appl. Phys. A54 (1992) 209
31. Wu K., and Lee S.Y. J. Phys. Chem. A101 (1997) 937
32. Wu K., Li J., Mang C., and Zhuang B. Appl. Phys. A76 (2003) 427