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Titolo:
INVESTIGATION OF THE RELATIONSHIP BETWEEN DIPOLAR PROPERTIES AND CIS-TRANS CONFIGURATION IN RETINAL POLYENES - A COMPARATIVE-STUDY USING STARK SPECTROSCOPY AND SEMIEMPIRICAL CALCULATIONS
Autore:
LOCKNAR SA; PETEANU LA;
Indirizzi:
CARNEGIE MELLON UNIV,DEPT CHEM,4400 5TH AVE PITTSBURGH PA 15213 CARNEGIE MELLON UNIV,DEPT CHEM PITTSBURGH PA 15213
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY B
fascicolo: 21, volume: 102, anno: 1998,
pagine: 4240 - 4246
SICI:
1089-5647(1998)102:21<4240:IOTRBD>2.0.ZU;2-K
Fonte:
ISI
Lingua:
ENG
Soggetto:
NONLINEAR OPTICAL-PROPERTIES; ULTRAVIOLET RESONANCE RAMAN; EXCITED SINGLET-STATE; SCHIFF-BASE; 3RD-HARMONIC GENERATION; INTERMEDIATE NEGLECT; DIFFERENTIAL OVERLAP; ABSORPTION-SPECTRA; VISUAL PIGMENTS; GROUND-STATES;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
56
Recensione:
Indirizzi per estratti:
Citazione:
S.A. Locknar e L.A. Peteanu, "INVESTIGATION OF THE RELATIONSHIP BETWEEN DIPOLAR PROPERTIES AND CIS-TRANS CONFIGURATION IN RETINAL POLYENES - A COMPARATIVE-STUDY USING STARK SPECTROSCOPY AND SEMIEMPIRICAL CALCULATIONS", JOURNAL OF PHYSICAL CHEMISTRY B, 102(21), 1998, pp. 4240-4246

Abstract

Three biologically active conformers of retinal, all-trans, 9- and 13-cis, and their Sckiff bases (SB), are studied using a combination of electroabsorption (Stark) spectroscopy and semiempirical calculations. All of the retinal isomers studied show both a large change in dipolemoment between the ground and excited states (\Delta mu\ greater than8 D) and a large change in polarizability between the ground and excited states (<(Delta alpha)over bar> greater than 300 Angstrom(3)). Theexperimental \Delta mu\ values in the aldehydes are well predicted bysemiempirical calculations. However, the calculated Delta mu values for the SB are more than 2 times smaller than experimental values. Thisdiscrepancy suggests mixing of the 1B(u) state with another state with a large dipole moment, most likely the 2A(g) state, which is not probed by our calculational method. For both the aldehydes and SB, Delta alpha(calc) values are 2-8 times lower than experimental values. Possible reasons for the deviation between theory and experiment are discussed.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 05/12/20 alle ore 23:31:13