About: 1,4-Phenylene and 2,5-Thienylene p-Linkers in Charge-Transfer Chromophores

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Fifteen model charge-transfer chromophores with ferrocene donors, NO2 acceptors, and 1,4-phenylene and 2,5-thienylene p-linkers were synthesized and their properties investigated by X-ray analysis, electrochemistry, absorption spectra, and DFT calculations. Structure?property relationships were further evaluated to answer the question of suitability of the p-linkers in the construction of chromophore backbone. Gradual replacement of 1,4-phenylene with 2,5-thienylene and p-linker extension resulted in a lower HOMO?LUMO gap, a bathochromic shift of both charge-transfer bands, and overall planarization of the molecule. Hence, thiophene, when incorporated into a chromophore backbone, is a more polarizable moiety that allows very efficient intramolecular charge transfer. Fifteen model charge-transfer chromophores with ferrocene donors, NO2 acceptors, and 1,4-phenylene and 2,5-thienylene p-linkers were synthesized and their properties investigated by X-ray analysis, electrochemistry, absorption spectra, and DFT calculations. Structure?property relationships were further evaluated to answer the question of suitability of the p-linkers in the construction of chromophore backbone. Gradual replacement of 1,4-phenylene with 2,5-thienylene and p-linker extension resulted in a lower HOMO?LUMO gap, a bathochromic shift of both charge-transfer bands, and overall planarization of the molecule. Hence, thiophene, when incorporated into a chromophore backbone, is a more polarizable moiety that allows very efficient intramolecular charge transfer. (en)
Title	1,4-Phenylene and 2,5-Thienylene p-Linkers in Charge-Transfer Chromophores 1,4-Phenylene and 2,5-Thienylene p-Linkers in Charge-Transfer Chromophores (en)
skos:prefLabel	1,4-Phenylene and 2,5-Thienylene p-Linkers in Charge-Transfer Chromophores 1,4-Phenylene and 2,5-Thienylene p-Linkers in Charge-Transfer Chromophores (en)
skos:notation	RIV/00216275:25310/13:39896115!RIV14-GA0-25310___
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP106/12/0392)
http://linked.open...iv/cisloPeriodika	5
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Bureš, Filip Mikysek, Tomáš Kulhánek, Jiří Růžička, Aleš Opršal, Jakub
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	119627
http://linked.open...ai/riv/idVysledku	RIV/00216275:25310/13:39896115
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	thiophenes; p-linkers; DFT calculations; chromophores; charge transfer (en)
http://linked.open.../riv/klicoveSlovo	p-linkers thiophenes chromophores DFT calculations charge transfer
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[BD4E3CF486DA]
http://linked.open...i/riv/nazevZdroje	Asian Journal of Organic Chemistry
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure-property relationships of organic dipolar chromophores and their optical nonlinearities.
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	2
http://linked.open...iv/tvurceVysledku	Bureš, Filip Kulhánek, Jiří Růžička, Aleš Mikysek, Tomáš Opršal, Jakub Kuznik, Wojciech
http://linked.open...ain/vavai/riv/wos	000325988200010
issn	2193-5815
number of pages	10 (xsd:int)
http://bibframe.org/vocab/doi	10.1002/ajoc.201300063
http://localhost/t...ganizacniJednotka	25310

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