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Pt(+)(C(2)H(2))(n) Complexes Studied with Selected-Ion Infrared Spectroscopy

[Image: see text] Platinum cation complexes with multiple acetylene molecules are studied with mass spectrometry and infrared laser spectroscopy. Complexes of the form Pt(+)(C(2)H(2))(n) are produced in a molecular beam by laser vaporization, analyzed with a time-of-flight mass spectrometer, and sel...

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Autores principales: Batchelor, Anna G., Marks, Joshua H., Ward, Timothy B., Duncan, Michael A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10350954/
https://www.ncbi.nlm.nih.gov/pubmed/37369010
http://dx.doi.org/10.1021/acs.jpca.3c02734
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author Batchelor, Anna G.
Marks, Joshua H.
Ward, Timothy B.
Duncan, Michael A.
author_facet Batchelor, Anna G.
Marks, Joshua H.
Ward, Timothy B.
Duncan, Michael A.
author_sort Batchelor, Anna G.
collection PubMed
description [Image: see text] Platinum cation complexes with multiple acetylene molecules are studied with mass spectrometry and infrared laser spectroscopy. Complexes of the form Pt(+)(C(2)H(2))(n) are produced in a molecular beam by laser vaporization, analyzed with a time-of-flight mass spectrometer, and selected by mass for studies of their vibrational spectroscopy. Photodissociation action spectra in the C–H stretching region are compared to the spectra predicted for different structural isomers using density functional theory. The comparison between experiment and theory demonstrates that platinum forms cation−π complexes with up to three acetylene molecules, producing an unanticipated asymmetric structure for the three-ligand complex. Additional acetylenes form solvation structures around this three-ligand core. Reacted structures that couple acetylene molecules (e.g., to form benzene) are found by theory to be energetically favorable, but their formation is inhibited under the conditions of these experiments by large activation barriers.
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spelling pubmed-103509542023-07-18 Pt(+)(C(2)H(2))(n) Complexes Studied with Selected-Ion Infrared Spectroscopy Batchelor, Anna G. Marks, Joshua H. Ward, Timothy B. Duncan, Michael A. J Phys Chem A [Image: see text] Platinum cation complexes with multiple acetylene molecules are studied with mass spectrometry and infrared laser spectroscopy. Complexes of the form Pt(+)(C(2)H(2))(n) are produced in a molecular beam by laser vaporization, analyzed with a time-of-flight mass spectrometer, and selected by mass for studies of their vibrational spectroscopy. Photodissociation action spectra in the C–H stretching region are compared to the spectra predicted for different structural isomers using density functional theory. The comparison between experiment and theory demonstrates that platinum forms cation−π complexes with up to three acetylene molecules, producing an unanticipated asymmetric structure for the three-ligand complex. Additional acetylenes form solvation structures around this three-ligand core. Reacted structures that couple acetylene molecules (e.g., to form benzene) are found by theory to be energetically favorable, but their formation is inhibited under the conditions of these experiments by large activation barriers. American Chemical Society 2023-06-27 /pmc/articles/PMC10350954/ /pubmed/37369010 http://dx.doi.org/10.1021/acs.jpca.3c02734 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Batchelor, Anna G.
Marks, Joshua H.
Ward, Timothy B.
Duncan, Michael A.
Pt(+)(C(2)H(2))(n) Complexes Studied with Selected-Ion Infrared Spectroscopy
title Pt(+)(C(2)H(2))(n) Complexes Studied with Selected-Ion Infrared Spectroscopy
title_full Pt(+)(C(2)H(2))(n) Complexes Studied with Selected-Ion Infrared Spectroscopy
title_fullStr Pt(+)(C(2)H(2))(n) Complexes Studied with Selected-Ion Infrared Spectroscopy
title_full_unstemmed Pt(+)(C(2)H(2))(n) Complexes Studied with Selected-Ion Infrared Spectroscopy
title_short Pt(+)(C(2)H(2))(n) Complexes Studied with Selected-Ion Infrared Spectroscopy
title_sort pt(+)(c(2)h(2))(n) complexes studied with selected-ion infrared spectroscopy
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10350954/
https://www.ncbi.nlm.nih.gov/pubmed/37369010
http://dx.doi.org/10.1021/acs.jpca.3c02734
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