Journal ArticleDOI
A stable doubly hydrogen-bridged butterfly-shaped diborane(4) compound.
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TLDR
Structural data, experimental electron density analysis, and computational studies confirm the 3-fold bonding between the two boron atoms incorporating the two bridging hydrogen atoms.Abstract:
In contrast to the common multiple bonding between carbon atoms, multiply bonded boron compounds have still been a synthetic challenge due to the electron deficiency of boron. We now report that a stable doubly hydrogen-bridged diborane(4), EindB(μ-H)2BEind, is produced by the two-electron oxidation of a hydrogen-substituted diborane(4) dianion [Li+(thf)]2[Eind(H)BB(H)Eind]2−, where Eind denotes the 1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl. The X-ray crystallography reveals a short B−B distance of 1.4879(7) A in comparison with the normal B−B single bond length (1.72 A), the presence of two hydrogen atoms bridged perpendicular to the B−B bond with a butterfly shape having a dihedral angle of the two BHB triangles of 113(1)°, and a linear geometry around the B−B bond with a C−B−B bond angle of 178.92(4)°. These structural data, experimental electron density analysis, and computational studies confirm the 3-fold bonding (a σ and two π-like bonds) between the two boron atoms incorporating the two bridgin...read more
Citations
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Diboron(4) Compounds: From Structural Curiosity to Synthetic Workhorse
TL;DR: Although known for over 90 years, only in the past two decades has the chemistry of diboron(4) compounds been extensively explored and these compounds now feature prominently in both metal-catalyzed and metal-free methodologies for the formation of B-C bonds and other processes.
Journal ArticleDOI
Formation and Reactivity of Electron-Precise B-B Single and Multiple Bonds.
TL;DR: This Review provides an overview of the latest methods for the controlled synthesis of B-B single and multiple bonds as well as the ever-expanding range of reactivity displayed by B- B multiple bonds.
Journal ArticleDOI
A two-coordinate boron cation featuring C–B+–C bonding
TL;DR: This diarylborinium ion possesses exceptional Lewis acidity, accepting a pair of electrons from CO2 to cause an unusual deoxygenation reaction and adopts a linear two-coordinate structure in both the solid state and in solution.
References
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Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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Michael J. Frisch,G. Trucks,H. B. Schlegel,G. Scuseria,M. Robb,J. Cheeseman,V. Zakrzewski,John H. Montgomery,R. Stratmann,J. Burant,T. Vreven,K.N. Kudin +11 more
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Testing aspherical atom refinements on small-molecule data sets
N. K. Hansen,Philip Coppens +1 more
TL;DR: In this paper, a generalized aspherical-atom formalism is used to refine X-ray data on silicon, tetracyanoethylene, p-nitropyridine N-oxide and ammonium thiocyanate.
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π-Bonding and the Lone Pair Effect in Multiple Bonds between Heavier Main Group Elements
Journal ArticleDOI
A stable, neutral diborene containing a B=B double bond.
Yu-Zhong Wang,Brandon Quillian,Pingrong Wei,Chaitanya S. Wannere,Yaoming Xie,R. Bruce King,Henry F. Schaefer,Paul von Ragué Schleyer,Gregory H. Robinson +8 more
TL;DR: Compound 3 is the first structurally characterized neutral diborene and the nature of the BB double bond in 3 was delineated by DFT computations.