On atom–atom `short contact' bonding interactions in crystals

IUCrJ

Matta, C.F.¹  Lecomte, C.¹  Espinosa, E.¹ 

[1] Laboratoire de Cristallographie, Résonance Magnétique et Modélisations, UMR CNRS 7036, Institut Jean Barriol, Faculté des Sciences et Technologies, Université de Lorraine, BP 70239, Boulevard des Aiguillettes 54506 Vandoeuvre-lès-Nancy France

关键词: BOND PATHS IN CRYSTALS;    CRYSTAL BINDING;    CRYSTAL STABILITY;    ELECTRON DENSITY;    QUANTUM THEORY OF ATOMS IN MOLECULES (QTAIM);    HIGH-RESOLUTION X-RAY DIFFRACTION;    SYNTHONS;   

DOI  :  10.1107/S2052252515002067

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

Professor Dunitz questions the usefulness of ascribing crystalline structural stability to individual atom–atom intermolecular interactions viewed as bonding (hence stabilizing) whenever linked by a bond path. An alternative view is expressed in the present essay that articulates the validity and usefulness of the bond path concept in a crystallographic and crystal engineering context.

【 授权许可】

CC BY