Premium
Electron Density and Bonding in Borates: An Experimental Study of Tetrabutylammonium Heptahydridohexaborate, [(C 4 H 9 ) 4 N][B 6 H 7 ]
Author(s) -
Förster Diana,
Scheins Stephan,
Luger Peter,
Lentz Dieter,
Preetz Wilhelm
Publication year - 2007
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200700444
Subject(s) - chemistry , boron , crystallography , octahedron , molecule , atoms in molecules , reactivity (psychology) , hydrogen bond , ion , atom (system on chip) , charge density , electron density , computational chemistry , inorganic chemistry , electron , crystal structure , organic chemistry , medicine , physics , alternative medicine , pathology , quantum mechanics , computer science , embedded system
An experimental study of a high‐resolution X‐ray data set of the closo ‐boranate [B 6 H 7 ] – was performed. The charge density distribution and its topological properties were analyzed according to the “Atoms in Molecules” theory of R. W. Bader. The [B 6 H 7 ] – anion forms an octahedral boron cage with one of the six faces capped by an additional proton. The unusual bonding situation of the threefold capping hydrogen atom is of special interest and is discussed in detail. Three new B–H bonds form, while the B–B bonds in the capped boron triangle vanish. The reactivity of the [B 6 H 7 ] – anion is visualized by the electrostatic potential.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)