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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Abstract

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
Projects:	Project title Project leader Project code Project type Kontrola atomske i molekulske dinamike oblikovanim elektromagnetskim poljima [158946] Nađa Došlić 098-0352851-2921 MZOS Makrociklički ligandi, strukturne promjene otopina i molekularne spektroskopije [2046] Goran Baranović 098-0982904-2927 MZOS
Depositing User:	Nađa Došlić
Date Deposited:	15 Oct 2013 12:43
URI:	http://fulir.irb.hr/id/eprint/792
DOI:	10.5562/cca1826

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