H3N•••Ag-Cl: Synthesis in a supersonic jet and characterisation by rotational spectroscopy

被引：26

作者：

Mikhailov, Victor A. ^{[1
]}

Tew, David P. ^{[1
]}

Walker, Nicholas R. ^{[1
]}

Legon, Anthony C. ^{[1
]}

机构：

[1] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England

来源：

CHEMICAL PHYSICS LETTERS | 2010年 / 499卷 / 1-3期

关键词：

CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; MICROWAVE-SPECTRA; HYPERFINE CONSTANTS; SUBMILLIMETER-WAVE; PULSED-JET; CHLORIDE; AG; CU;

D O I：

10.1016/j.cplett.2010.08.069

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The monoammoniate of silver monochloride, H3N center dot center dot center dot Ag-Cl, has been synthesised by laser ablation of metallic silver in the presence of a dilute mixture of NH3 and CCl4 in argon. The rotational spectra of five symmetric-top isotopologues were observed using a pulsed-jet, F-T microwave spectrometer that incorporates a laser-ablation source. Rotational constants B-0, centrifugal distortion constants D-J and D-JK, and Cl and N-14 nuclear hyperfine coupling constants were determined. r(0) and r(s) values of the N-Ag and Ag-Cl internuclear distances are reported and compared with re quantities obtained by ab initio calculations at the CCSD(T)/cc-pVQZ level of theory. (c) 2010 Elsevier B. V. All rights reserved.

引用

页码：16 / 20

页数：5

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