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Title:Microwave Spectra And Geometries Of C2h2…aui And C2h4…aui
Author(s):Stephens, Susanna Louise
Contributor(s):Legon, Anthony; Walker, Nick; Tew, David Peter; Sprawling, Matt John; Mullaney, John Connor
Subject(s):Chirped pulse
Abstract:A chirped-pulse Fourier transform microwave spectrometer has been used to measure the microwave spectra of both $\mathrm{C_{2}H_{2}\cdots AuI}$ and $\mathrm{C_{2}H_{4}\cdots AuI}$. These complexes are generated via laser ablation at 532 nm of a gold surface in the presence of $\mathrm{CF_{3}I}$ and either $\mathrm{C_{2}H_{2}}$ or $\mathrm{C_{2}H_{4}}$ and argon and are stabilized by a supersonic expansion. Rotational ($A_{0}$, $B_{0}$, $C_{0}$) and centrifugal distortion constants ($\Delta_{J}$, $\Delta_{JK}$ and $\delta_{J}$) of each molecule have been determined as well the nuclear electric quadrupole coupling constants of gold and iodine atoms ($\chi_{aa}\left(\mathrm{Au}\right)$, $\chi_{bb}-\chi_{cc}\left(\mathrm{Au}\right)$, $\chi_{aa}\left(\mathrm{I}\right)$ and $\chi_{bb}-\chi_{cc}\left(\mathrm{I}\right)$). The spectrum of each molecule is consistent with a $C_{2\mathrm{v}}$ structure in which the metal atom interacts with the $\pi$-orbital of the ethene or ethyne molecule. Isotopic substitutions of atoms within the $\mathrm{C_{2}H_{2}}$ or $\mathrm{C_{2}H_{4}}$ subunits are in progress and in conjunction with high level \textit{ab initio} calculations will allow for accurate determination of the geometry of each molecule.
Issue Date:2014-06-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Stephens, S.L.; Legon, A.; Walker, N.; Tew, D.P.; Sprawling, M.J.; Mullaney, J.C. MICROWAVE SPECTRA AND GEOMETRIES OF C2H2…AuI and C2H4…AuI. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.FD11
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Date Available in IDEALS:2014-09-17

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