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Realization of Lewis Basic Sodium Anion in the NaBH 3 − Cluster
Author(s) -
Liu Gaoxiang,
Fedik Nikita,
MartinezMartinez Chalynette,
Ciborowski Sandra M.,
Zhang Xinxing,
Boldyrev Alexander I.,
Bowen Kit H.
Publication year - 2019
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201907089
Subject(s) - heterolysis , adduct , chemistry , lewis acids and bases , lone pair , bond dissociation energy , crystallography , cluster (spacecraft) , ion , bond length , coupled cluster , inorganic chemistry , computational chemistry , dissociation (chemistry) , molecule , crystal structure , organic chemistry , computer science , programming language , catalysis
We report a Na: − →B dative bond in the NaBH 3 − cluster, which was designed on the principle of minimum‐energy rupture, prepared by laser vaporization, and characterized by a synergy of anion photoelectron spectroscopy and electronic structure calculations. The global minimum of NaBH 3 − features a Na−B bond. Its preferred heterolytic dissociation conforms with the IUPAC definition of dative bond. The lone electron pair revealed on Na and the negative Laplacian of electron density at the bond critical point further confirm the dative nature of the Na−B bond. This study represents the first example of a Lewis adduct with an alkalide as the Lewis base.