An Isolated CO2 Adduct of a Nitrogen Base: Crystal and Electronic Structures

被引：181

作者：

Villiers, Claude ^{[1
]}

Dognon, Jean-Pierre ^{[1
]}

Pollet, Rodolphe ^{[1
]}

Thuery, Pierre ^{[1
]}

Ephritikhine, Michel ^{[1
]}

机构：

[1] CEA, CEA Saclay, CNRS, DSM,IRAMIS,UMR 3299,SIS2M, F-91191 Gif Sur Yvette, France

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 20期

关键词：

carbon dioxide fixation; density functional calculations; guanidine; structure elucidation; zwitterions; CARBON-DIOXIDE; CHEMICAL FIXATION; COORDINATION; CARBENDAZIM; REPLACEMENT; BICARBONATE; ACTIVATION; REDUCTION; CHEMISTRY; PHOSGENE;

D O I：

10.1002/anie.201001035

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented). In a crystal at last: CO2 binds reversibly to the guanidine molecule TBD. The zwitterionic structure of the adduct is demonstrated by X-ray diffraction analysis and computational methods (see picture; left: C blue, H white, N pink, O red), while its fluxionality in solution is revealed by NMR spectroscopy. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：3465 / 3468

页数：4

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