Journal Articles Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-...] Year : 2023

Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques

Abstract

Investigations simultaneously involving multiple techniques of quantum crystallography could be very useful to prove the consistency of obtained results or to highlight different facets of the same scientific phenomenon or problem. Pinto et al. [Acta Cryst. (2023), B79, 282–296] exploit three different quantum crystallographic techniques (Hansen & Coppens multipole model refinement, QTAIM analysis of the electron density, and Hirshfeld atom refinement) to characterize the nature of chemical bonds and of intra/intermolecular interactions in an organometallic compound.
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hal-04205343 , version 1 (12-09-2023)

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Alessandro Genoni. Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques. Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2023, 79 (4), pp.253-254. ⟨10.1107/S2052520623006364⟩. ⟨hal-04205343⟩
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