Solid-state linear-dichroic infrared (IR-LD) spectroscopic and theoretical characterization of 2-[(2-ethoxy-3,4-dioxocyclobut-1-en-yl)amino]propanamide

Sonya Zareva

doi:10.2478/s11532-006-0034-0

Solid-state linear-dichroic infrared (IR-LD) spectroscopic and theoretical characterization of 2-[(2-ethoxy-3,4-dioxocyclobut-1-en-yl)amino]propanamide

Sonya Zareva

Source

Open Chemistry > 2006 > 4 > 4 > 695-707

Abstract

2-[(2-Ethoxy-3,4-dioxocyclobut-1-en-yl)amino]propanamide (N-alaninamidoamide of squaric acid ethyl ester) has been characterized structurally and spectroscopically by ab initio calculations and IR-LD spectroscopy of oriented crystals suspended in a nematic liquid crystal. The results are compared with single crystal X-ray structures illustrating the possibilities of this experimental approach to obtaining structural information as well as assigning IR bands.

Identifiers

journal ISSN :	2391-5420
DOI	10.2478/s11532-006-0034-0

Authors

Sonya Zareva

Faculty of Chemistry, Department of Analytical Chemistry, Sofia University “St. Kl. Ohridsky”, 1164, Sofia, Bulgaria

Keywords

2-[(2-Ethoxy-3,4-dioxocyclobut-1-en-yl)amino]propanamide N-alaninamidoamide of squaric acid ethyl ester solid-state IR-LD spectroscopy ab initio calculations

Additional information

Publication languages: English

Data set: PSJD

Publisher

De Gruyter Open

Fields of science

No field of science has been suggested yet.

Bibliography

[1] D. Chemla and J. Zyss: Nonlinear Optical Properties of Organic Molecules and Crystals, Vol. 1, D. Chemla, J. Zyss (Eds.), Academic Press, New York, 1988, pp. 23–187.
[2] H.S. Nalwa, T. Watanabe and S. Miyata: Nonlinear Optics of Organic Molecules and Polymers, H.S. Nalwa, S. Miyata (Eds.), CRC Press, Boca Raton, 1997, pp. 89–329.
[3] T. Kolev, R. Petrova and M. Spiteller: “(R)-2-[(2-Ethoxy-3,4-dioxocyclobut-1-en-1-yl)-amino]-3 phenylpropanamide hemihydrate”, Acta Cryst., Vol. 60E, (2004), pp. o634–o636.

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Sonya Zareva

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Bibliography

[1] D. Chemla and J. Zyss: Nonlinear Optical Properties of Organic Molecules and Crystals, Vol. 1, D. Chemla, J. Zyss (Eds.), Academic Press, New York, 1988, pp. 23–187.

[2] H.S. Nalwa, T. Watanabe and S. Miyata: Nonlinear Optics of Organic Molecules and Polymers, H.S. Nalwa, S. Miyata (Eds.), CRC Press, Boca Raton, 1997, pp. 89–329.

[3] T. Kolev, R. Petrova and M. Spiteller: “(R)-2-[(2-Ethoxy-3,4-dioxocyclobut-1-en-1-yl)-amino]-3 phenylpropanamide hemihydrate”, Acta Cryst., Vol. 60E, (2004), pp. o634–o636.

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Solid-state linear-dichroic infrared (IR-LD) spectroscopic and theoretical characterization of 2-[(2-ethoxy-3,4-dioxocyclobut-1-en-yl)amino]propanamide