Metallic cyanoacetylides of copper, silver and gold: generation and structural characterization

被引：4

作者：

Cabezas, Carlos ^{[1
]}

Barrientos, Carmen ^{[2
]}

Largo, Antonio ^{[2
]}

Guillemin, Jean-Claude ^{[3
]}

Alonso, J. L. ^{[1
]}

机构：

[1] Univ Valladolid, GEM, CSIC, Lab Espect & Bioespect, Edificio Quifima,Parque Cient Uva,Paseo Belen 5, E-47011 Valladolid, Spain

[2] Univ Valladolid, Fac Ciencias, Dept Quim Fis & Quim Inorganica, Campus Miguel Delibes,Paseo Belen 7, E-47011 Valladolid, Spain

[3] Ecole Natl Super Chim Rennes, CNRS, Inst Sci Chim Rennes, UMR 6226, 11 Allee Beaulieu,CS 50837, F-35708 Rennes 7, France

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2016年 / 18卷 / 41期

基金：

欧洲研究理事会;

关键词：

PURE ROTATIONAL SPECTRUM; CONSISTENT BASIS-SETS; CONVERGENT BASIS-SETS; DOUBLE-ZETA QUALITY; GAUSSIAN-BASIS SET; LA-MB-FTMW; MOLECULAR-STRUCTURE; TRANSITION-METALS; SPIN INTERACTIONS; CYANIDES;

D O I：

10.1039/c6cp04474c

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 metallic cyanoacetylides CuCCCN, AgCCCN, and AuCCCN have been synthesized in the throat of a pulsed supersonic expansion by reaction of metal vapors, produced by laser ablation, and BrCCCN. Their pure rotational spectra in the (X-1 Sigma(+)) electronic ground state were observed by Fourier transform microwave spectroscopy in the 2-10 GHz frequency region. Importantly, the rotational spectroscopy constants determined from the analysis of the rotational spectra clearly established the existence of metal-CCCN arrangements for all the mentioned cyanoacetylides. A study of the chemical bonding by means of a topological analysis of the electron density helps to understand the preference for metal-C bonding over metal-N bonding.

引用

页码：28538 / 28547

页数：10

共 41 条

[21] The pure rotational spectrum of CrCN (X 6Σ+):: an unexpected geometry and unusual spin interactions [J].