We found a match
Your institution may have rights to this item. Sign in to continue.
- Title
Reply to the Comment on "Realization of Lewis Basic Sodium Anion in the NaBH<sub>3</sub><sup>−</sup> Cluster".
- Authors
Liu, Gaoxiang; Fedik, Nikita; Martinez‐Martinez, Chalynette; Ciborowski, Sandra M.; Zhang, Xinxing; Boldyrev, Alexander I.; Bowen, Kit H.
- Abstract
We reply to the comment by S. Pan and G. Frenking who challenged our interpretation of the Na−:→BH3 dative bond in the recently synthesized NaBH3− cluster. Our conclusion remains the same as that in our original paper (https://doi.org/10.1002/anie.201907089 and https://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.
- Subjects
COORDINATE covalent bond; ELECTRON density; SODIUM compounds; ANIONS; ATOMS in molecules theory
- Publication
Angewandte Chemie, 2020, Vol 132, Issue 23, p8840
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.202005259