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Lecomte C, Espinosa E, Matta CF. On atom-atom 'short contact' bonding interactions in crystals. IUCrJ. 2015;2:161-3doi: 10.1107/S2052252515002067.
Lecomte, C., Espinosa, E., & Matta, C. F. (2015). On atom-atom 'short contact' bonding interactions in crystals. IUCrJ, 2161-3. https://doi.org/10.1107/S2052252515002067
Lecomte, Claude, et al. "On atom-atom 'short contact' bonding interactions in crystals." IUCrJ vol. 2 (2015): 161-3. doi: https://doi.org/10.1107/S2052252515002067
Lecomte C, Espinosa E, Matta CF. On atom-atom 'short contact' bonding interactions in crystals. IUCrJ. 2015 Feb 26;2:161-3. doi: 10.1107/S2052252515002067. eCollection 2015 Mar 01. PMID: 25866651; PMCID: PMC4392409.
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IUCrJ. 2015 Feb 26;2:161-3. doi: 10.1107/S2052252515002067. eCollection 2015 Mar 01.

On atom-atom 'short contact' bonding interactions in crystals.

IUCrJ

Claude Lecomte, Enrique Espinosa, Cherif F Matta

Affiliations

  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.
  2. 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 ; Department of Chemistry and Physics, Mount Saint Vincent University , Halifax, Nova Scotia, B3M 2J6 Canada ; Department of Chemistry, Dalhousie University , Halifax, Nova Scotia, B3H 4J3, Canada ; Department of Chemistry, Saint Mary's University , Halifax, Nova Scotia, B3H 3C3, Canada.

PMID: 25866651 PMCID: PMC4392409 DOI: 10.1107/S2052252515002067

Abstract

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.

Keywords: bond paths in crystals; crystal binding; crystal stability; electron density; high-resolution X-ray diffraction; quantum theory of atoms in molecules (QTAIM); synthons

References

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