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Title: Reply to the Comment on “Realization of Lewis Basic Sodium Anion in the NaBH 3 − Cluster”
Abstract We reply to the comment by S. Pan and G. Frenking who challenged our interpretation of the Na−:→BH3dative bond in the recently synthesized NaBH3−cluster. Our conclusion remains the same as that in our original paper (https://doi.org/10.1002/anie.201907089andhttps://doi.org/10.1002/ange.201907089). This conclusion is additionally supported by the energetic pathways and NBO charges calculated at UCCSD and CASMP2(4,4) levels of theory. We also discussed the suitability of the Laplacian of electron density (QTAIM) and Adaptive Natural Density Partitioning (AdNDP) method for bond type assignment. It seems that AdNDP yields more sensible results. This discussion reveals that the complex realm of bonding is full of semantic inconsistencies, and we invite experimentalists and theoreticians to elaborate this topic and find solutions incorporating different views on the dative bond.  more » « less
Award ID(s):
1664379
PAR ID:
10147259
Author(s) / Creator(s):
 ;  ;  ;  ;  ;  ;  
Publisher / Repository:
Wiley Blackwell (John Wiley & Sons)
Date Published:
Journal Name:
Angewandte Chemie International Edition
Volume:
59
Issue:
23
ISSN:
1433-7851
Page Range / eLocation ID:
p. 8760-8764
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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