Skip to content
BY-NC-ND 3.0 license Open Access Published by De Gruyter Open Access August 11, 2008

Solid-state linear polarized IR-spectroscopy of croconic and rhodizonic acids

Tsonko Kolev, Bojidarka Koleva and Michael Spiteller
From the journal Open Chemistry

Abstract

The applications of linear-polarized IR-spectroscopy to oriented colloid suspensions in a nematic host are demonstrated with croconic and rhodizonic acids. The experimental IR vibrational assignments of the solid-state of both neutral compounds are presented. Assignments are supported by theoretical quantum chemical calculations and vibrational analysis at the DFT level of theoretical approximation with the 6-311++G** basis set.

[1] J.A. Cowan, J. Howard, Acta Crystallogr. 60, m511 (2004) 10.1107/S160053680400529XSearch in Google Scholar

[2] D. Braga, L. Maini, F. Grepioni, Chem. Eur. J. 8, 1804 (2002) http://dx.doi.org/10.1002/1521-3765(20020415)8:8<1804::AID-CHEM1804>3.0.CO;2-C10.1002/1521-3765(20020415)8:8<1804::AID-CHEM1804>3.0.CO;2-CSearch in Google Scholar

[3] W. Uhl, M. Prott, Z. Anorg. Allgem. Chem. 628, 2259 (2002) http://dx.doi.org/10.1002/1521-3749(200211)628:11<2259::AID-ZAAC2259>3.0.CO;2-C10.1002/1521-3749(200211)628:11<2259::AID-ZAAC2259>3.0.CO;2-CSearch in Google Scholar

[4] C. Lam, T. Mak, Angew. Chem. Int. Ed. 40, 3453 (2001) http://dx.doi.org/10.1002/1521-3773(20010917)40:18<3453::AID-ANIE3453>3.0.CO;2-U10.1002/1521-3773(20010917)40:18<3453::AID-ANIE3453>3.0.CO;2-USearch in Google Scholar

[5] C. Lam, T. Mak, Chem. Commun. 1568 (2001) 10.1039/b104386mSearch in Google Scholar

[6] G. Junqueira, W. Rocha, W. De Almeida, H. Dos Santos, Phys. Chem. Chem. Phys. 3, 3499 (2001) http://dx.doi.org/10.1039/b103975j10.1039/b103975jSearch in Google Scholar

[7] D. Quin~onero, A. Frontera, P. Ballester, P. Deyà, Tetrahedron Lett. 41, 2001 (2000) http://dx.doi.org/10.1016/S0040-4039(00)00084-810.1016/S0040-4039(00)00084-8Search in Google Scholar

[8] R. Carbo’, R. Albalat, J. Claret, J. Orts, J. Rodes, J. Electroanal. Chem. 424, 185 (1997) http://dx.doi.org/10.1016/S0022-0728(96)04916-910.1016/S0022-0728(96)04916-9Search in Google Scholar

[9] H. Kallmayer, P. Schwarz, Pharm. Uns. Zeit 21, 105 (1992) http://dx.doi.org/10.1002/pauz.1992021030810.1002/pauz.19920210308Search in Google Scholar

[10] R. Gelb, L. Schwartz, D. Laufer, J. Phys. Chem. 82, 1985 (1978) http://dx.doi.org/10.1021/j100507a00610.1021/j100507a006Search in Google Scholar

[11] R. Diniz, L. R.V. De Sá, B.L. Rodrigues, M. Yoshida, N.L. Speziali, L.F.C. de Oliveira, J. Mol. Struct. (in press) Search in Google Scholar

[12] W.M. Teles, R. de A. Farani, D.S. Maia, N.L. Speziali, M. Yoshida, L.F.C. de Oliveira, F.C. Machado, J. Mol. Struct. 783, 52 (2006) http://dx.doi.org/10.1016/j.molstruc.2005.08.02010.1016/j.molstruc.2005.08.020Search in Google Scholar

[13] P.S. Santos, J.H. Amaral, L. F.C. De Oliveira, J. Mol. Struct. 243, 223 (1991) http://dx.doi.org/10.1016/0022-2860(91)87041-F10.1016/0022-2860(91)87041-FSearch in Google Scholar

[14] C. Leibovici, J.Mol. Struct. 13, 185 (1972) http://dx.doi.org/10.1016/0022-2860(72)87006-610.1016/0022-2860(72)87006-6Search in Google Scholar

[15] B.B. Ivanova, M.G. Arnaudov, P.R. Bontchev, Spectrochim. Acta 60A, 855 (2004) 10.1016/S1386-1425(03)00310-XSearch in Google Scholar

[16] B.B. Ivanova, D.L. Tsalev, M.G. Arnaudov, Talanta, 69, 822 (2006) http://dx.doi.org/10.1016/j.talanta.2005.11.02610.1016/j.talanta.2005.11.026Search in Google Scholar PubMed

[17] B.B. Ivanova, V.D. Simeonov, M.G. Arnaudov, D.L. Tsalev, Spectrochim Acta Part A (in press) Search in Google Scholar

[18] B.B. Koleva, Ts. Kolev, T. Spassov, V. Simeonov, M. Spiteller, J. Inclusion Phenomenon (in press) Search in Google Scholar

[19] B.B. Ivanova, Spectrochim. Acta, Part A, 62, 5 (2005) 10.1016/j.saa.2004.12.011Search in Google Scholar PubMed

[20] B.B. Ivanova, H. Mayer-Figge, J. Coord. Chem., 58, 653 (2005) http://dx.doi.org/10.1080/0095897041233133629510.1080/00958970412331336295Search in Google Scholar

[21] B.B. Ivanova, J. Mol. Struct., 738, 233 (2005) http://dx.doi.org/10.1016/j.molstruc.2004.12.03610.1016/j.molstruc.2004.12.036Search in Google Scholar

[22] R. Bakalska, B.B. Ivanova, Ts. Kolev, Cent. Eur. J. Chem. 4, 533 (2006) http://dx.doi.org/10.2478/s11532-006-0018-010.2478/s11532-006-0018-0Search in Google Scholar

[23] B.B. Ivanova, J. Mol. Struct. 782, 122 (2006) http://dx.doi.org/10.1016/j.molstruc.2005.08.00410.1016/j.molstruc.2005.08.004Search in Google Scholar

[24] B.B. Ivanova, T. Kolev, S.Y. Zareva, Biopolymers 82, 587 (2006) http://dx.doi.org/10.1002/bip.2051210.1002/bip.20512Search in Google Scholar

[25] Ts. Kolev, Biopolymers 83, 39 (2006) http://dx.doi.org/10.1002/bip.2052510.1002/bip.20525Search in Google Scholar

[26] M. J. Frisch et al., Gaussian 98, Gaussian, Inc., Pittsburgh, PA, 1998 Search in Google Scholar

[27] G. A. Zhurko, D.A. Zhurko, ChemCraft: Tool for treatment of chemical data, Lite version build 08 (freeware), 2005 Search in Google Scholar

[28] D. Backe, J. Chem. Phys. 98, 5648 (1993) http://dx.doi.org/10.1063/1.46491310.1063/1.464913Search in Google Scholar

[29] C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988) http://dx.doi.org/10.1103/PhysRevB.37.78510.1103/PhysRevB.37.785Search in Google Scholar

[30] C. Peng, P.Y. Ayala, H.B. Schlegel, M.J. Frisch, J. Comp. Chem. 17, 49 (1996) http://dx.doi.org/10.1002/(SICI)1096-987X(19960115)17:1<49::AID-JCC5>3.0.CO;2-010.1002/(SICI)1096-987X(19960115)17:1<49::AID-JCC5>3.0.CO;2-0Search in Google Scholar

[31] A.P. Scott, L.J. Radom, J. Phys. Chem. 100, 16502 (1996) http://dx.doi.org/10.1021/jp960976r10.1021/jp960976rSearch in Google Scholar

[32] J. C. Evans, N. Wright, Spectrochim. Acta 16, 352 (1960) http://dx.doi.org/10.1016/0371-1951(60)80095-110.1016/0371-1951(60)80095-1Search in Google Scholar

[33] J. C. Evans, Spectrochim. Acta, 16, 352 (1960) http://dx.doi.org/10.1016/0371-1951(60)80095-110.1016/0371-1951(60)80095-1Search in Google Scholar

Published Online: 2008-8-11
Published in Print: 2008-9-1

© 2008 Versita Warsaw

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Scroll Up Arrow