Exploring the validity of the Glidewell-Lloyd extension of Clar's π-sextet rule: assessment from polycyclic conjugated hydrocarbons

Home | About RECERCAT | Contact

Català | Castellano

All of RECERCAT

By Communities &
Collections By Defense Date By Authors By Titles By Subject

This Collection

By Defense Date By Authors By Titles By Subject

Statistics

View Statistics All RECERCAT

My RECERCAT

Other repositories directory

RECERCAT Home > Universitat de Girona > Documents de recerca > View document

To access the full text documents, please follow this link: http://hdl.handle.net/10256/12661

dc.contributor	Ministerio de Economía y Competitividad (Espanya)
dc.contributor	Generalitat de Catalunya. Agència de Gestió d'Ajuts Universitaris i de Recerca
dc.contributor.author	El Bakouri, Ouissam
dc.contributor.author	Poater i Teixidor, Jordi
dc.contributor.author	Feixas Geronès, Ferran
dc.contributor.author	Solà i Puig, Miquel
dc.date	2016-09-08T10:23:19Z
dc.date	2017-08-04T03:00:05Z
dc.date	2016-08-04
dc.identifier.citation	1432-881X (versió paper)
dc.identifier.citation	1432-2234 (versió electrònica)
dc.identifier.citation	025507
dc.identifier.uri	http://hdl.handle.net/10256/12661
dc.format	application/pdf
dc.language.iso	eng
dc.publisher	Springer Verlag
dc.relation	http://dx.doi.org/10.1007/s00214-016-1970-1
dc.relation	MINECO/PE 2015-2017/CTQ2014-54306-P
dc.relation	AGAUR/2014-2016/2014 SGR-931
dc.relation	Versió postprint del document publicat a: http://dx.doi.org/10.1007/s00214-016-1970-1
dc.relation	© Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2015, vol. 135, núm. 8, art.205
dc.relation	Articles publicats (D-Q)
dc.rights	Tots els drets reservats
dc.rights	info:eu-repo/semantics/openAccess
dc.source	El Bakouri, Ouissam Poater i Teixidor, Jordi Feixas Geronès, Ferran Solà i Puig, Miquel 2015 Exploring the validity of the Glidewell-Lloyd extension of Clar's π-sextet rule: assessment from polycyclic conjugated hydrocarbons Theoretical Chemistry Accounts: Theory, Computation, and Modeling 135 8 art.205
dc.subject	Compostos policíclics
dc.subject	Polycyclic compounds
dc.subject	Aromaticitat (Química)
dc.subject	Aromaticity (Chemistry)
dc.subject	Compostos aromàtics
dc.subject	Aromatic compounds
dc.title	Exploring the validity of the Glidewell-Lloyd extension of Clar's π-sextet rule: assessment from polycyclic conjugated hydrocarbons
dc.type	info:eu-repo/semantics/article
dc.type	info:eu-repo/semantics/acceptedVersion
dc.description.abstract	The Clar pi-sextet rule was formulated as a tool to qualitatively assign the local aromatic character of six-membered rings in benzenoid species. This simple rule has been widely validated both experimentally and theoretically. In 1984, Glidewell and Lloyd reported an extension of this rule to polycyclic conjugated hydrocarbons having rings with any even number of carbon atoms in their structure. In this work, we assess the validity of the Glidewell-Lloyd extension in 69 polycyclic conjugated hydrocarbons composed of different combinations of four-, six-, and eight-membered rings. Our results support the validity of this extension with some exceptions that are discussed. Finally, a minor modification to the rule is proposed
dc.description.abstract	This work has been supported by the Ministerio de Economía y Competitividad (MINECO) of Spain (Project CTQ2014-54306-P) and the Generalitat de Catalunya (project 2014SGR931, Xarxa de Referència en Química Teòrica i Computacional, ICREA Academia 2014 prize for M.S., and grant No. 2014FI_B 00429 to O.E.B.). The EU under the FEDER grant UNGI10-4E-801 (European Fund for Regional Development) has also funded this research

Show simple item record

All of RECERCAT

This Collection

Statistics

My RECERCAT

Related documents

Other documents of the same author