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Localization of the Counterion of the Protonated Schiff Base of n-butylretinal in Solution

Biliškov, Nikola; Novak, Jurica; Petković, Milena; Zgrablić, Goran; Baranović, Goran; Došlić, Nađa (2011) Localization of the Counterion of the Protonated Schiff Base of n-butylretinal in Solution. Croatica Chemica Acta, 84 (2). pp. 221-231. ISSN 0011-1643

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The vibrational spectra of the protonated Schiff base of n-butylretinal (nSBR(+)) in dichloromethane are studied. The trifluoroacetic acid (TFA) is used for the protonation of the Schiff base of n-butylretinal (nSBR). Combining the two-dimensional correlation analysis of the experimental infrared spectra with anharmonic frequency calculations it is shown that two types of ionic aggregates between nSBR(+) and the TFA counterion are formed. The study suggests that the interaction between nSBR(+) and the TFA counterion may be responsible for the observed lost of photoselectivity in the trans-cis isomerization of the nSBR(+) in solution.

Item Type: Article
Uncontrolled Keywords: n-butylretinal; trifluoroacetic acid; infrared spectroscopy; hydrogen bonding; DFT; anharmonic frequency; anharmonic-force fields; cis-trans isomerization; grid hamiltonian method; infrared-spectroscopy; reaction dynamics; hydrogen-bond; primary event; bacteriorhodopsin; state; rhodopsin
Subjects: NATURAL SCIENCES > Chemistry
Divisions: Division of Materials Chemistry
Division of Organic Chemistry and Biochemistry
Division of Physical Chemistry
Project titleProject leaderProject codeProject type
Kontrola atomske i molekulske dinamike oblikovanim elektromagnetskim poljima[158946] Nađa Došlić098-0352851-2921MZOS
Makrociklički ligandi, strukturne promjene otopina i molekularne spektroskopije[2046] Goran Baranović098-0982904-2927MZOS
Depositing User: Nađa Došlić
Date Deposited: 15 Oct 2013 12:43
DOI: 10.5562/cca1826

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