MICROWAVE SPECTRA AND GEOMETRIES OF C2H2…AgI and C2H4…AgI

Stephens, Susanna L.

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https://hdl.handle.net/2142/79370 Copy

Description

Title

MICROWAVE SPECTRA AND GEOMETRIES OF C2H2…AgI and C2H4…AgI

Author(s)

Stephens, Susanna L.

Contributor(s)

• Legon, Anthony
• Walker, Nick
• Tew, David Peter

Issue Date

25-Jun-15

Keyword(s)

Metal containing

Abstract

A chirped-pulse Fourier transform microwave spectrometer has been used to measure the microwave spectra of both $mathrm{C_{2}H_{2}cdots AgI}$ and $mathrm{C_{2}H_{4}cdots AgI}$. These complexes are generated via laser ablation at 532 nm of a silver 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 ($Delta_{J}$ and $Delta_{JK}$) of each molecule have been determined as well the nuclear electric quadrupole coupling constants the iodine atom ($chi_{aa}left(mathrm{I}right)$ and $chi_{bb}-chi_{cc}left(mathrm{I}right)$). The spectrum of each molecule is consistent with a $C_{2mathrm{v}}$ 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. These to complexes are put in the context of the recently studied $mathrm{H_{2}Scdots AgI}$,footnote{S.Z. Riaz, S.L. Stephens, W. Mizukami, D.P. Tew, N.R. Walker, A.C. Legon, Chem. Phys. Let., $bf{531}$, 1-12 (2012)} OC$cdots$AgI,footnote{S.L. Stephens, W. Mizukami, D.P. Tew, N.R. Walker, A.C. Legon, J. Chem. Phys., $bf{136(6)}$, 064306 (2012)}, $mathrm{H_{3}Ncdots AgI}$ and $mathrm{left(CH_{3}right)_{3}Ncdots AgI}$.footnote{D.M. Bittner, D.P. Zaleski, S.L. Stephens, N.R. Walker, A.C. Legon, Study in progress.}

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79370

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