About: Raman Spectra, Electrochemical Redox Potentials and Intramolecular Reorganization Due to Ionization and Excitation of Benzodifuranone Chromophore

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About: Raman Spectra, Electrochemical Redox Potentials and Intramolecular Reorganization Due to Ionization and Excitation of Benzodifuranone Chromophore Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S0009261413004119
Description	Experimental Raman spectrum of 3,7-diphenyl substituted benzodifuranone (BDF) was assigned based on the density functional theory. The first electrochemical redox potentials in acetonitrile relate well with DFT adiabatic HOMO and LUMO energies, computed by polarized continuum model including solvent effect. DFT computed changes of bond lengths of central para-benzoquinodimethane (BQM) core upon ionization correspond to the most intense stretching modes. Simple algebraic relations between the bond lengths of BQM core in neutral, ionized and excited species were found. Experimental Raman spectrum of 3,7-diphenyl substituted benzodifuranone (BDF) was assigned based on the density functional theory. The first electrochemical redox potentials in acetonitrile relate well with DFT adiabatic HOMO and LUMO energies, computed by polarized continuum model including solvent effect. DFT computed changes of bond lengths of central para-benzoquinodimethane (BQM) core upon ionization correspond to the most intense stretching modes. Simple algebraic relations between the bond lengths of BQM core in neutral, ionized and excited species were found. (en)
Title	Raman Spectra, Electrochemical Redox Potentials and Intramolecular Reorganization Due to Ionization and Excitation of Benzodifuranone Chromophore Raman Spectra, Electrochemical Redox Potentials and Intramolecular Reorganization Due to Ionization and Excitation of Benzodifuranone Chromophore (en)
skos:prefLabel	Raman Spectra, Electrochemical Redox Potentials and Intramolecular Reorganization Due to Ionization and Excitation of Benzodifuranone Chromophore Raman Spectra, Electrochemical Redox Potentials and Intramolecular Reorganization Due to Ionization and Excitation of Benzodifuranone Chromophore (en)
skos:notation	RIV/00216275:25310/13:39896440!RIV14-MSM-25310___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(EE2.3.30.0021)
http://linked.open...iv/cisloPeriodika	May
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Mikysek, Tomáš
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	Univerzita Pardubice / Fakulta chemicko-technologická
http://linked.open...dnocenehoVysledku	101402
http://linked.open...ai/riv/idVysledku	RIV/00216275:25310/13:39896440
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	geometry; polymers; stability; derivatives; terthiophene; quinodimethane; dft; thin-film transistors; field-effect transistors; channel organic semiconductors (en)
http://linked.open.../riv/klicoveSlovo	polymers derivatives geometry stability channel organic semiconductors dft field-effect transistors quinodimethane terthiophene thin-film transistors
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[F089C9DDDD22]
http://linked.open...i/riv/nazevZdroje	Chemical Physics Letters
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Strenthening of Research and Development Teams at the University of Pardubice
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	570
http://linked.open...iv/tvurceVysledku	Frumarová, Božena Luňák, Stanislav Vyňuchal, Jan Mikysek, Tomáš
http://linked.open...ain/vavai/riv/wos	000319102100011
issn	0009-2614
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.cplett.2013.03.064
http://localhost/t...ganizacniJednotka	25310

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