Vibrational spectroscopic studies of indolecarboxylic acids and their metal complexes. Part VIII. 5-Methoxyindole-2-carboxylic acid and its Zn(II) complex

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 72, Issue 2, 2009, Pages 236-243

  Morzyk Ociepa, Barbara ^a  

^a JAN DLUGOSZ UNIVERSITY   (Poland)

Author keywords

5 Methoxyindole 2 carboxylic acid; Density functional theory; FT IR and FT Raman spectra; Hydrogen bond; Molecular structure; Zinc complex

Indexed keywords

ACIDS; BINDING SITES; CARBOXYLIC ACIDS; COMPLEXATION; DEUTERIUM; HYDROGEN; HYDROGEN BONDS; INFRARED SPECTROSCOPY; METAL COMPLEXES; METALLIC COMPOUNDS; MOLECULAR STRUCTURE; ORGANIC ACIDS; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTROSCOPIC ANALYSIS; ZINC; ZINC COMPOUNDS;

5-METHOXYINDOLE-2-CARBOXYLIC ACID; B3LYP METHODS; BASIS SETS; DEUTERATED DERIVATIVES; FT-IR AND FT-RAMAN SPECTRA; INFRARED INTENSITIES; INFRARED SPECTRUMS; NATURAL BOND ORBITALS; POTENTIAL ENERGY DISTRIBUTIONS; RAMAN SPECTROSCOPIC; SPECTROSCOPIC STUDIES; THEORETICAL MODELS; VIBRATIONAL ASSIGNMENTS; ZINC COMPLEX; ZN COMPLEXES;

DENSITY FUNCTIONAL THEORY;

5 METHOXYINDOLE 2 CARBOXYLIC ACID; 5-METHOXYINDOLE-2-CARBOXYLIC ACID; INDOLE DERIVATIVE; ZINC;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; RAMAN SPECTROMETRY; VIBRATION;

INDOLES; MOLECULAR STRUCTURE; SPECTRUM ANALYSIS, RAMAN; VIBRATION; ZINC;

EID: 58149199536     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.08.007     Document Type: Article

References (33)

1. Meury J. Fems Microbiol. Lett. 108 (1993) 271
2. Hartleb J., and Arndt R. J. Chromatogr. B 764 (2001) 409
3. Horikoshi T., Ito S., Wakamatsu K., Onodera H., and Eguchi H. Cancer 73 (1994) 629
4. Wakamatsu K., and Ito S. Pigment Cell Res. 8 (1995) 132
5. Karnell R., Vonschoultz E., Hansson L.O., Nilsson B., Arstrand K., and Kagedal B. Melanoma Res. 7 (1997) 393
6. Tsukamoto K., Furue M., Sato Y., Takayama O., Akasu R., Ohtake N., Wakamatsu K., Ito S., Tamaki K., and Shimada S. Dermatology 197 (1998) 338
7. Wakamatsu K., Kageshita T., Furue M., Hatta N., Kiyohara Y., Nakayama J., Ono T., Saida T., Takata M., Tsuchida T., Uhara H., Yamamoto A., Yamazaki N., Naito A., and Ito S. Melanoma Res. 12 (2002) 245
8. Meyer T., Hauschild A., Kromminga A., Hartleb J., Arndt R., Christophers E., and Stockfleth E. Melanoma Res. 12 (2002) 471
9. Dillon C.T., Hambley T.W., Kennedy B.J., Lay P.A., Zhou Q., Davies N.M., Ray Biffin J., and Regtop H.L. Chem. Res. Toxicol. 16 (2003) 28
10. Lemoine P., Viossat B., Nguyen Huy D., Tomas A., Morgant G., Greenaway F.T., and Sorenson J.R.J. J. Inorg. Biochem. 98 (2004 1734)
11. Morzyk-Ociepa B., Michalska D., and Pietraszko A. J. Mol. Struct. 688 (2004) 87
12. Morzyk-Ociepa B., Michalska D., and Pietraszko A. J. Mol. Struct. 688 (2004) 79
13. Morzyk-Ociepa B., and Rozycka-Sokolowska E. J. Mol. Struct. 784 (2006) 69
14. Morzyk-Ociepa B., and Marciniak B. Vib. Spectrosc. 43 (2007) 297
15. Morzyk-Ociepa B., and Rozycka-Sokolowska E. Vib. Spectrosc. 43 (2007) 405
16. Morzyk-Ociepa B. Vib. Spectrosc. 46 (2008) 115
17. Morzyk-Ociepa B. Vib. Spectrosc. 49 (2009) 68
18. Becke A.D. J. Chem. Phys. 104 (1996) 1040
19. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
20. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270
21. Frisch M.J., Pople J.A., and Binkley J.S. J. Chem. Phys. 80 (1984) 3265
22. Krishnan R., Binkley J.S., Seeger R., and Pople J.A. J. Chem. Phys. 72 (1980) 650
23. Bieńko D.C., Michalska D., Roszak S., Wojciechowski W., Nowak M.J., and Lapiński L. J. Phys. Chem. A 101 (1997) 7834
24. Pulay P., Fogarasi G., Pongor G., Boggs J.E., and Vargha A.J. J. Am. Chem. Soc. 105 (1983) 7037
25. Forgasi G., and Pulay P. In: Durig J.R. (Ed). Vibrational Spectra and Structure vol. 14 (1985), Elsevier, Amsterdam
26. Pulay P., Fogarasi G., Zhou X., and Taylor P.W. Vib. Spectrosc. 1 (1990) 159
27. E.D. Glendening, A.E. Reed, E. Carpenter, F. Weinhold, NBO Version 3.1.
28. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
29. 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 C. 02 (2004), Gaussian, Inc., Wallingford, CT
30. Suwaiyan A., and Morsy M.A. Spectrochim. Acta 53A (1997) 575
31. Deacon G.B., and Phillips R.J. Coord. Chem. Rev. 33 (1980) 227
32. Tine A., Guillaume P., Massat A., and Aaron J.J. Spectrochim. Acta 54A (1998) 1451
33. Nakamoto K. Infrared and Raman Spectra of Inorganic and Coordination Compounds (1978), Wiley, New York