Solid-State Spectroscopic and Structural Elucidation of L-Phenylalanyl-L-alanine Dihydrate and Its Hydrochloride

• Autorzy: Zareva S. , Kolev T. , Tchapkanov A. , Spiteller M. , Koleva B.
• Języki publikacji: EN

Abstrakty

EN

Correlation structure/IR-spectroscopic properties of the dipeptide L-phenylalanyl-Lalanine dihydrate (H-Phe-Ala-OHź2H2O) and its hydrochloride (H-Phe-Ala-OHźHCl) in solid-state is elucidated by means of the linear-polarized IR- (IR-LD) spectroscopy of oriented colloid suspension in nematic host. The IR-spectroscopic and structural assignment obtained by the polarization tool is compared with known crystallographic data of H-Phe-Ala-OHź2H2O. The characterization of the hydrochloride salt is supported in addition by the HPLC tandem ESI mass spectrometry (MS/MS), 1H- and 13C-NMR, TGA and DSC methods. Quantum chemical calculations are performed with a view to obtain electronic structure and vibrational properties of both neutral and protonated dipeptide, thus completing the experimental assignment.

Słowa kluczowe

EN

dipeptides; IR-LD spectroscopy; ab initio and DFT calculations

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2009
• Tom: Vol. 83, nr 3
• Strony: 421--430
• Opis fizyczny: Bibliogr. 22 poz., rys.

Twórcy

autor

Zareva S.

autor

Kolev T.

autor

Tchapkanov A.

autor

Spiteller M.

autor

Koleva B.

• Sofia University "St. Kl. Ohridsky", Faculty of Chemistry, Department of Analytical Chemistry, 1, J. Bouchier, Blvd., 1164 Sofia, Bulgaria phone: [phone],

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