The diatomic dication CuZn2+ in the gas phase

Autores
Pis Diez, Reinaldo; Franzreb, Klaus; Alonso, Julio A.
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In the present combined experimental and theoretical study we report the observation of the novel gas-phase dication CuZn2+ and provide some theoretical insight into the electronic binding of this exotic metastable molecule and its formation mechanism. Using mass spectrometry we have detected four isotopomer signals of CuZn2+ at half-integer m/z values for ion flight times of about 14 μs. CuZn2+ was unambiguously identified by its isotopic abundance. High-current energetic Ar+ ion bombardment of a brass surface was used for its production. Subsequent dication formation was found to take place in the ion extraction region of our mass spectrometer several tens of microns in front of the sputtered brass surface. The dication formation mechanism appears to be resonant electron transfer in soft gas-phase collisions between sputter-ejected singly charged CuZn+ molecular ions and incoming Ar+ projectiles. This conclusion is supported by our theoretical study that obtained an ionization energy of CuZn+ of 15.75 eV, in excellent agreement with both the experimental and calculated ionization energy of Ar (15.76 and 15.67 eV, respectively). The ground state of CuZn2+ is found to be a metastable one with a very shallow potential well at an internuclear equilibrium distance of about 2.7 Å, the dissociation energy being very difficult to estimate. Interestingly, spin-orbit corrections are found to be necessary to get an adequate description of the metastable state of CuZn2+, whereas relativistic corrections have no effects on neutral CuZn nor on CuZn+.
Fil: Pis Diez, Reinaldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Franzreb, Klaus. Arizona State University; Estados Unidos
Fil: Alonso, Julio A.. Universidad de Valladolid; España
Materia
CUZN+
MASS SPECTROMETRY
ELECTRON TRANSFER
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/279475
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/279475
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The diatomic dication CuZn2+ in the gas phasePis Diez, ReinaldoFranzreb, KlausAlonso, Julio A.CUZN+MASS SPECTROMETRYELECTRON TRANSFERhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In the present combined experimental and theoretical study we report the observation of the novel gas-phase dication CuZn2+ and provide some theoretical insight into the electronic binding of this exotic metastable molecule and its formation mechanism. Using mass spectrometry we have detected four isotopomer signals of CuZn2+ at half-integer m/z values for ion flight times of about 14 μs. CuZn2+ was unambiguously identified by its isotopic abundance. High-current energetic Ar+ ion bombardment of a brass surface was used for its production. Subsequent dication formation was found to take place in the ion extraction region of our mass spectrometer several tens of microns in front of the sputtered brass surface. The dication formation mechanism appears to be resonant electron transfer in soft gas-phase collisions between sputter-ejected singly charged CuZn+ molecular ions and incoming Ar+ projectiles. This conclusion is supported by our theoretical study that obtained an ionization energy of CuZn+ of 15.75 eV, in excellent agreement with both the experimental and calculated ionization energy of Ar (15.76 and 15.67 eV, respectively). The ground state of CuZn2+ is found to be a metastable one with a very shallow potential well at an internuclear equilibrium distance of about 2.7 Å, the dissociation energy being very difficult to estimate. Interestingly, spin-orbit corrections are found to be necessary to get an adequate description of the metastable state of CuZn2+, whereas relativistic corrections have no effects on neutral CuZn nor on CuZn+.Fil: Pis Diez, Reinaldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Franzreb, Klaus. Arizona State University; Estados UnidosFil: Alonso, Julio A.. Universidad de Valladolid; EspañaAmerican Institute of Physics2011-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/279475Pis Diez, Reinaldo; Franzreb, Klaus; Alonso, Julio A.; The diatomic dication CuZn2+ in the gas phase; American Institute of Physics; Journal of Chemical Physics; 135; 3; 7-2011; 1-50021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.aip.org/aip/jcp/article-abstract/135/3/034306/190214/The-diatomic-dication-CuZn2-in-the-gas-phaseinfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.3613624info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-02-06T13:29:21Zoai:ri.conicet.gov.ar:11336/279475instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982026-02-06 13:29:21.684CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The diatomic dication CuZn2+ in the gas phase
title The diatomic dication CuZn2+ in the gas phase
spellingShingle The diatomic dication CuZn2+ in the gas phase
Pis Diez, Reinaldo
CUZN+
MASS SPECTROMETRY
ELECTRON TRANSFER
title_short The diatomic dication CuZn2+ in the gas phase
title_full The diatomic dication CuZn2+ in the gas phase
title_fullStr The diatomic dication CuZn2+ in the gas phase
title_full_unstemmed The diatomic dication CuZn2+ in the gas phase
title_sort The diatomic dication CuZn2+ in the gas phase
dc.creator.none.fl_str_mv Pis Diez, Reinaldo
Franzreb, Klaus
Alonso, Julio A.
author Pis Diez, Reinaldo
author_facet Pis Diez, Reinaldo
Franzreb, Klaus
Alonso, Julio A.
author_role author
author2 Franzreb, Klaus
Alonso, Julio A.
author2_role author
author
dc.subject.none.fl_str_mv CUZN+
MASS SPECTROMETRY
ELECTRON TRANSFER
topic CUZN+
MASS SPECTROMETRY
ELECTRON TRANSFER
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In the present combined experimental and theoretical study we report the observation of the novel gas-phase dication CuZn2+ and provide some theoretical insight into the electronic binding of this exotic metastable molecule and its formation mechanism. Using mass spectrometry we have detected four isotopomer signals of CuZn2+ at half-integer m/z values for ion flight times of about 14 μs. CuZn2+ was unambiguously identified by its isotopic abundance. High-current energetic Ar+ ion bombardment of a brass surface was used for its production. Subsequent dication formation was found to take place in the ion extraction region of our mass spectrometer several tens of microns in front of the sputtered brass surface. The dication formation mechanism appears to be resonant electron transfer in soft gas-phase collisions between sputter-ejected singly charged CuZn+ molecular ions and incoming Ar+ projectiles. This conclusion is supported by our theoretical study that obtained an ionization energy of CuZn+ of 15.75 eV, in excellent agreement with both the experimental and calculated ionization energy of Ar (15.76 and 15.67 eV, respectively). The ground state of CuZn2+ is found to be a metastable one with a very shallow potential well at an internuclear equilibrium distance of about 2.7 Å, the dissociation energy being very difficult to estimate. Interestingly, spin-orbit corrections are found to be necessary to get an adequate description of the metastable state of CuZn2+, whereas relativistic corrections have no effects on neutral CuZn nor on CuZn+.
Fil: Pis Diez, Reinaldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Franzreb, Klaus. Arizona State University; Estados Unidos
Fil: Alonso, Julio A.. Universidad de Valladolid; España
description In the present combined experimental and theoretical study we report the observation of the novel gas-phase dication CuZn2+ and provide some theoretical insight into the electronic binding of this exotic metastable molecule and its formation mechanism. Using mass spectrometry we have detected four isotopomer signals of CuZn2+ at half-integer m/z values for ion flight times of about 14 μs. CuZn2+ was unambiguously identified by its isotopic abundance. High-current energetic Ar+ ion bombardment of a brass surface was used for its production. Subsequent dication formation was found to take place in the ion extraction region of our mass spectrometer several tens of microns in front of the sputtered brass surface. The dication formation mechanism appears to be resonant electron transfer in soft gas-phase collisions between sputter-ejected singly charged CuZn+ molecular ions and incoming Ar+ projectiles. This conclusion is supported by our theoretical study that obtained an ionization energy of CuZn+ of 15.75 eV, in excellent agreement with both the experimental and calculated ionization energy of Ar (15.76 and 15.67 eV, respectively). The ground state of CuZn2+ is found to be a metastable one with a very shallow potential well at an internuclear equilibrium distance of about 2.7 Å, the dissociation energy being very difficult to estimate. Interestingly, spin-orbit corrections are found to be necessary to get an adequate description of the metastable state of CuZn2+, whereas relativistic corrections have no effects on neutral CuZn nor on CuZn+.
publishDate 2011
dc.date.none.fl_str_mv 2011-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/279475
Pis Diez, Reinaldo; Franzreb, Klaus; Alonso, Julio A.; The diatomic dication CuZn2+ in the gas phase; American Institute of Physics; Journal of Chemical Physics; 135; 3; 7-2011; 1-5
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/279475
identifier_str_mv Pis Diez, Reinaldo; Franzreb, Klaus; Alonso, Julio A.; The diatomic dication CuZn2+ in the gas phase; American Institute of Physics; Journal of Chemical Physics; 135; 3; 7-2011; 1-5
0021-9606
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.aip.org/aip/jcp/article-abstract/135/3/034306/190214/The-diatomic-dication-CuZn2-in-the-gas-phase
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.3613624
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.595271

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