Covalent Character of Hydrogen Bonds Enhanced by π-Electron Delocalization

Croatica Chemica Acta

Grabowski, Sławomir Janusz¹ 

[1] Department of Chemistry, University of Łódź, Pomorska 149/153, 90 236 Łódź, Poland

关键词: resonance assisted hydrogen bonding;    formamide;    carboxylic acid;    Quantum Theory of Atoms in Molecules;    decomposition of the interaction...;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

Interactions classified as intermolecular resonance assisted hydrogen bonds (RAHBs) are analyzed here. Hence the MP2/6-311++G(d,p) calculations for dimers of formic, acetic and pyrrole-2-carboxylic acid (PCA) were performed. The similar...

【 授权许可】

Unknown