5 years ago

New Titanium Borylimido Compounds: Synthesis, Structure, and Bonding

New Titanium Borylimido Compounds: Synthesis, Structure, and Bonding
Martin Slusarczyk, Simona Mellino, Benjamin A. Clough, Philip Mountford, Eric Clot, Matthew P. Blake, Bowen Xie, Laura C. Stevenson, Andrey V. Protchenko
Very few borylimides (M = NBR2) have previously been reported, all by diverse routes. Here we present a combined experimental and computational study of titanium borylimides. Their electronic structures, bond energies, and imide-amine exchange reactions have been evaluated using density functional theory, quantum theory of atoms in molecules, and natural bond orbital analysis. These features are placed more generally in context with the corresponding alkyl- and arylimides and hydrazides.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01831

DOI: 10.1021/acs.inorgchem.7b01831

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