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Chemistry in Laser-Induced Plasmas: Formation of M–C≡C–Cl (M = Ag or Cu) and their Characterization by Rotational Spectroscopy

Lookup NU author(s): Dr Daniel Zaleski, Dr Nick WalkerORCiD, Professor Anthony Legon

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This is the final published version of an article that has been published in its final definitive form by American Chemical Society, 2015.

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Abstract

The new linear molecule Ag−C=C−Cl has been detected andfully characterized by means of rotational spectroscopy. It was synthesized bylaser ablation of a silver rod in the presence of a gaseous sample containing alow concentration of CCl4 in argon, cooled to a rotational temperatureapproaching ∼1−3 K through supersonic expansion, and analyzed by chirpedpulse,Fourier transform microwave spectroscopy. Six isotopologues wereinvestigated, and for each the spectroscopic constants B0, DJ and χaa(Cl) weredetermined. The B0 values were interpreted to give the following bond lengths:r(Ag−C) = 2.015(14) Å and r(C−Cl) = 1.635(6) Å, with r(C=C) = 1.2219 Åassumed from an ab initio calculation at the CCSD(T)/aug-cc-pV5Z level oftheory. The Cu analogue Cu−C=C−Cl was similarly identified andcharacterized.

Publication metadata

Author(s): Zaleski DP, Tew DP, Walker NR, Legon AC

Publication type: Article

Publication status: Published

Journal: Journal of Physical Chemistry A

Year: 2015

Volume: 119

Issue: 12

Pages: 2919–2925

Print publication date: 26/03/2015

Online publication date: 02/03/2015

Acceptance date: 01/03/2015

Date deposited: 11/03/2015

ISSN (print): 1089-5639

ISSN (electronic): 1520-5215

Publisher: American Chemical Society

URL: http://dx.doi.org/10.1021/acs.jpca.5b01861

DOI: 10.1021/acs.jpca.5b01861

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