Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules

Mostrar todas las versiones(2)

The vibrationally resolved electronic spectra of isolated protonated polycyclic aromatic hydrocarbons (PAHs)-naphthalene, anthracene, and tetracene-have been recorded via neutral photofragment spectroscopy. The S 1←S0 transitions are all in the visible region and do not show a monotonic red shift as...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Alata, I., Dedonder, C., Broquier, M., Marceca, E., Jouvet, C.
Formato:	JOUR
Materias:	Calculations Charge transfer Excited states Hydrocarbons Molecules Naphthalene Protonation Ab initio calculations Charge transfer state Electronic absorption Electronic spectrum Hydrocarbon molecules Photofragments Polycyclic aromatic hydrocarbons (PAHS) Vibrationally resolved Polycyclic aromatic hydrocarbons anthracene naphthacene naphthalene polycyclic aromatic hydrocarbon unclassified drug ab initio calculation absorption spectroscopy analytic method article intermethod comparison molecular size molecule neutral photofragment spectroscopy proton transport vibration vibrational analysis
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00027863_v132_n49_p17483_Alata
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	todo:paper_00027863_v132_n49_p17483_Alata
record_format	dspace
spelling	todo:paper_00027863_v132_n49_p17483_Alata2023-10-03T13:54:16Z Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules Alata, I. Dedonder, C. Broquier, M. Marceca, E. Jouvet, C. Calculations Charge transfer Excited states Hydrocarbons Molecules Naphthalene Protonation Ab initio calculations Charge transfer state Electronic absorption Electronic spectrum Hydrocarbon molecules Photofragments Polycyclic aromatic hydrocarbons (PAHS) Vibrationally resolved Polycyclic aromatic hydrocarbons anthracene naphthacene naphthalene polycyclic aromatic hydrocarbon unclassified drug ab initio calculation absorption spectroscopy analytic method article intermethod comparison molecular size molecule neutral photofragment spectroscopy proton transport vibration vibrational analysis The vibrationally resolved electronic spectra of isolated protonated polycyclic aromatic hydrocarbons (PAHs)-naphthalene, anthracene, and tetracene-have been recorded via neutral photofragment spectroscopy. The S 1←S0 transitions are all in the visible region and do not show a monotonic red shift as a function of the molecular size, as observed for the neutral analogues. Comparison with ab initio calculations indicates that this behavior is due to the nature of the excited state, which has a pronounced charge-transfer character for protonated linear PAHs with an even number of aromatic rings. © 2010 American Chemical Society. Fil:Marceca, E. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00027863_v132_n49_p17483_Alata
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Calculations Charge transfer Excited states Hydrocarbons Molecules Naphthalene Protonation Ab initio calculations Charge transfer state Electronic absorption Electronic spectrum Hydrocarbon molecules Photofragments Polycyclic aromatic hydrocarbons (PAHS) Vibrationally resolved Polycyclic aromatic hydrocarbons anthracene naphthacene naphthalene polycyclic aromatic hydrocarbon unclassified drug ab initio calculation absorption spectroscopy analytic method article intermethod comparison molecular size molecule neutral photofragment spectroscopy proton transport vibration vibrational analysis
spellingShingle	Calculations Charge transfer Excited states Hydrocarbons Molecules Naphthalene Protonation Ab initio calculations Charge transfer state Electronic absorption Electronic spectrum Hydrocarbon molecules Photofragments Polycyclic aromatic hydrocarbons (PAHS) Vibrationally resolved Polycyclic aromatic hydrocarbons anthracene naphthacene naphthalene polycyclic aromatic hydrocarbon unclassified drug ab initio calculation absorption spectroscopy analytic method article intermethod comparison molecular size molecule neutral photofragment spectroscopy proton transport vibration vibrational analysis Alata, I. Dedonder, C. Broquier, M. Marceca, E. Jouvet, C. Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
topic_facet	Calculations Charge transfer Excited states Hydrocarbons Molecules Naphthalene Protonation Ab initio calculations Charge transfer state Electronic absorption Electronic spectrum Hydrocarbon molecules Photofragments Polycyclic aromatic hydrocarbons (PAHS) Vibrationally resolved Polycyclic aromatic hydrocarbons anthracene naphthacene naphthalene polycyclic aromatic hydrocarbon unclassified drug ab initio calculation absorption spectroscopy analytic method article intermethod comparison molecular size molecule neutral photofragment spectroscopy proton transport vibration vibrational analysis
description	The vibrationally resolved electronic spectra of isolated protonated polycyclic aromatic hydrocarbons (PAHs)-naphthalene, anthracene, and tetracene-have been recorded via neutral photofragment spectroscopy. The S 1←S0 transitions are all in the visible region and do not show a monotonic red shift as a function of the molecular size, as observed for the neutral analogues. Comparison with ab initio calculations indicates that this behavior is due to the nature of the excited state, which has a pronounced charge-transfer character for protonated linear PAHs with an even number of aromatic rings. © 2010 American Chemical Society.
format	JOUR
author	Alata, I. Dedonder, C. Broquier, M. Marceca, E. Jouvet, C.
author_facet	Alata, I. Dedonder, C. Broquier, M. Marceca, E. Jouvet, C.
author_sort	Alata, I.
title	Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_short	Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_full	Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_fullStr	Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_full_unstemmed	Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_sort	role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
url	http://hdl.handle.net/20.500.12110/paper_00027863_v132_n49_p17483_Alata
work_keys_str_mv	AT alatai roleofthechargetransferstateintheelectronicabsorptionofprotonatedhydrocarbonmolecules AT dedonderc roleofthechargetransferstateintheelectronicabsorptionofprotonatedhydrocarbonmolecules AT broquierm roleofthechargetransferstateintheelectronicabsorptionofprotonatedhydrocarbonmolecules AT marcecae roleofthechargetransferstateintheelectronicabsorptionofprotonatedhydrocarbonmolecules AT jouvetc roleofthechargetransferstateintheelectronicabsorptionofprotonatedhydrocarbonmolecules
_version_	1807319633429004288

Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules

Ejemplares similares