About: Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations

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About: Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations Goto Sponge Distinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The multicenter bond indices, recently proposed as quantitative measures of the cyclic delocalization in aromatic systems, have been applied to characterize the differences in the nature of the electron reorganization in a series of allowed and forbidden electrocyclic reactions of linear neutral polyenes of general formula CnHn+2 and related charged systems of formula CnHn+2(+) and CnHn+2(-) for n ranging from 4 to 7. The proposed methodology, which is based on the monitoring of the variation of the extent of cyclic delocalization along the concerted reaction paths, is shown to be completely consistent with the empirical Evans/Dewar classification anticipating aromatic transition states for allowed and antiaromatic transition states for forbidden electrocyclic reactions. The multicenter bond indices, recently proposed as quantitative measures of the cyclic delocalization in aromatic systems, have been applied to characterize the differences in the nature of the electron reorganization in a series of allowed and forbidden electrocyclic reactions of linear neutral polyenes of general formula CnHn+2 and related charged systems of formula CnHn+2(+) and CnHn+2(-) for n ranging from 4 to 7. The proposed methodology, which is based on the monitoring of the variation of the extent of cyclic delocalization along the concerted reaction paths, is shown to be completely consistent with the empirical Evans/Dewar classification anticipating aromatic transition states for allowed and antiaromatic transition states for forbidden electrocyclic reactions. (en)
Title	Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations (en)
skos:prefLabel	Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations (en)
skos:notation	RIV/67985858:_____/09:00332318!RIV10-AV0-67985858
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/09/0118), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika	12
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Ponec, Robert
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 chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	312860
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/09:00332318
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	pericycli reactions; aromaticity; multicenter bond indices (en)
http://linked.open.../riv/klicoveSlovo	aromaticity multicenter bond indices pericycli reactions
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[C0E272ADFC76]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Organic 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	Modern theoretical tools for the analysis of chemical bonding
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	22
http://linked.open...iv/tvurceVysledku	Ponec, Robert Mandado, M.
http://linked.open...ain/vavai/riv/wos	000272727700013
http://linked.open...n/vavai/riv/zamer	Investigation of multiphase reacting systems for the design of processes important in synthesis and preparation of novel materials, in energy production and in environmental protection
issn	0894-3230
number of pages	8 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations Electron Reorganization in Allowed and Forbidden Reactions: Multicenter Bond Indices as a Measure of Aromaticity and/or Anti-aromaticity in Transition States of Pericyclic Electrocyclizations

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