Literature DB >> 32350985

Reply to the Comment on "Realization of Lewis Basic Sodium Anion in the NaBH3 - Cluster".

Gaoxiang Liu1, Nikita Fedik2, Chalynette Martinez-Martinez1, Sandra M Ciborowski1, Xinxing Zhang3, Alexander I Boldyrev2, Kit H Bowen1.   

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.
© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entities:  

Keywords:  Lewis adduct; alkalide; bonding analysis; dative bond

Year:  2020        PMID: 32350985     DOI: 10.1002/anie.202005259

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN: 1433-7851            Impact factor:   15.336


  2 in total

1.  Collective interactions among organometallics are exotic bonds hidden on lab shelves.

Authors:  Shahin Sowlati-Hashjin; Vojtěch Šadek; SeyedAbdolreza Sadjadi; Mikko Karttunen; Angel Martín-Pendás; Cina Foroutan-Nejad
Journal:  Nat Commun       Date:  2022-04-19       Impact factor: 17.694

2.  Beyond the Classical Electron-Sharing and Dative Bond Picture: Case of the Spin-Polarized Bond.

Authors:  Pedro Salvador; Eva Vos; Inés Corral; Diego M Andrada
Journal:  Angew Chem Int Ed Engl       Date:  2020-11-11       Impact factor: 15.336

  2 in total

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