About: Transition polarizability model of induced resonance Raman optical activity

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Induced resonance Raman optical activity (IRROA) proved to be a very sensitive method to detect molecular chirality. It is exhibited, for example, by complexes of lanthanides with chiral alcohols or ketones. So far, the phenomenon has not been understood at a quantitative level. To elucidate its mechanisms and to correctly relate the spectra to the structure, a transition polarizability model (TPM) is developed and applied to a camphor-europium complex. The model well reproduces the high ROA/Raman intensity ratio of the IRROA observed experimentally. The results additionally indicate a fundamental role of the nonchiral fod ligand in the Eu(fod)(3) compound for the chirality enhancement. The TPM model thus serves as a guidance for both experimental and theoretical studies to come. Induced resonance Raman optical activity (IRROA) proved to be a very sensitive method to detect molecular chirality. It is exhibited, for example, by complexes of lanthanides with chiral alcohols or ketones. So far, the phenomenon has not been understood at a quantitative level. To elucidate its mechanisms and to correctly relate the spectra to the structure, a transition polarizability model (TPM) is developed and applied to a camphor-europium complex. The model well reproduces the high ROA/Raman intensity ratio of the IRROA observed experimentally. The results additionally indicate a fundamental role of the nonchiral fod ligand in the Eu(fod)(3) compound for the chirality enhancement. The TPM model thus serves as a guidance for both experimental and theoretical studies to come. (en)
Title	Transition polarizability model of induced resonance Raman optical activity Transition polarizability model of induced resonance Raman optical activity (en)
skos:prefLabel	Transition polarizability model of induced resonance Raman optical activity Transition polarizability model of induced resonance Raman optical activity (en)
skos:notation	RIV/61388963:_____/13:00396232!RIV14-MSM-61388963
http://linked.open...avai/predkladatel	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GA13-03978S), P(GAP208/11/0105), P(LH11033)
http://linked.open...iv/cisloPeriodika	25
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Bouř, Petr
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	111612
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/13:00396232
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	induced resonance Raman optical activity; europium complexes; density functional computations; light scattering (en)
http://linked.open.../riv/klicoveSlovo	density functional computations europium complexes induced resonance Raman optical activity light scattering
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[4F23C4CF040E]
http://linked.open...i/riv/nazevZdroje	Journal of Computational Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Magnetic circular dichroism as an analytical tool for fullerenes and carbon nanostructures Expanding the Optical Activity Method to the Realm of Biomolecules Development of spectroscopic methods for structural studies of biomolecules
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	34
http://linked.open...iv/tvurceVysledku	Bouř, Petr Yamamoto, S.
http://linked.open...ain/vavai/riv/wos	000323209500003
issn	0192-8651
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1002/jcc.23370

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