Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene

Experimental and theoretical investigations of the excited states of protonated 1- and 2-aminonaphthalene are presented. The electronic spectra are obtained by laser induced photofragmentation of the ions captured in a cold ion trap. Using ab initio calculations, the electronic spectra can be assign...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Noble, J.A., Broquier, M., Grégoire, G., Soorkia, S., Pino, G., Marceca, E., Dedonder-Lardeux, C., Jouvet, C.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_14639076_v20_n9_p6134_Noble
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_14639076_v20_n9_p6134_Noble
record_format dspace
spelling todo:paper_14639076_v20_n9_p6134_Noble2023-10-03T16:16:58Z Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene Noble, J.A. Broquier, M. Grégoire, G. Soorkia, S. Pino, G. Marceca, E. Dedonder-Lardeux, C. Jouvet, C. Experimental and theoretical investigations of the excited states of protonated 1- and 2-aminonaphthalene are presented. The electronic spectra are obtained by laser induced photofragmentation of the ions captured in a cold ion trap. Using ab initio calculations, the electronic spectra can be assigned to different tautomers which have the proton on the amino group or on the naphthalene moiety. It is shown that the tautomer distribution can be varied by changing the electrospray source conditions, favoring either the most stable form in solution (amino protonation) or that in the gas phase (aromatic ring protonation). Calculations for larger amino-polyaromatics predict that these systems should behave as "proton sponges" i.e. have a proton affinity larger than 11 eV. © 2018 the Owner Societies. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_14639076_v20_n9_p6134_Noble
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description Experimental and theoretical investigations of the excited states of protonated 1- and 2-aminonaphthalene are presented. The electronic spectra are obtained by laser induced photofragmentation of the ions captured in a cold ion trap. Using ab initio calculations, the electronic spectra can be assigned to different tautomers which have the proton on the amino group or on the naphthalene moiety. It is shown that the tautomer distribution can be varied by changing the electrospray source conditions, favoring either the most stable form in solution (amino protonation) or that in the gas phase (aromatic ring protonation). Calculations for larger amino-polyaromatics predict that these systems should behave as "proton sponges" i.e. have a proton affinity larger than 11 eV. © 2018 the Owner Societies.
format JOUR
author Noble, J.A.
Broquier, M.
Grégoire, G.
Soorkia, S.
Pino, G.
Marceca, E.
Dedonder-Lardeux, C.
Jouvet, C.
spellingShingle Noble, J.A.
Broquier, M.
Grégoire, G.
Soorkia, S.
Pino, G.
Marceca, E.
Dedonder-Lardeux, C.
Jouvet, C.
Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene
author_facet Noble, J.A.
Broquier, M.
Grégoire, G.
Soorkia, S.
Pino, G.
Marceca, E.
Dedonder-Lardeux, C.
Jouvet, C.
author_sort Noble, J.A.
title Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene
title_short Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene
title_full Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene
title_fullStr Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene
title_full_unstemmed Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene
title_sort tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene
url http://hdl.handle.net/20.500.12110/paper_14639076_v20_n9_p6134_Noble
work_keys_str_mv AT nobleja tautomerismandelectronicspectroscopyofprotonated1and2aminonaphthalene
AT broquierm tautomerismandelectronicspectroscopyofprotonated1and2aminonaphthalene
AT gregoireg tautomerismandelectronicspectroscopyofprotonated1and2aminonaphthalene
AT soorkias tautomerismandelectronicspectroscopyofprotonated1and2aminonaphthalene
AT pinog tautomerismandelectronicspectroscopyofprotonated1and2aminonaphthalene
AT marcecae tautomerismandelectronicspectroscopyofprotonated1and2aminonaphthalene
AT dedonderlardeuxc tautomerismandelectronicspectroscopyofprotonated1and2aminonaphthalene
AT jouvetc tautomerismandelectronicspectroscopyofprotonated1and2aminonaphthalene
_version_ 1807317791623086080

Ejemplares similares