Boron-boron, carbon-carbon and nitrogen-nitrogen bonding in N-heterocyclic carbenes and their diazaboryl and triazole analogues: Wanzlick equilibrium revisitedElectronic supplementary information (ESI) available: Details of computational methods, geometric parameters, energies and Cartesian coordinates of all investigated systems. See DOI: 10.1039/c8nj00296g

A series of monomers and dimers of N-heterocyclic carbenes and their diazaboryl and triazole analogues were investigated using the M06-2X and M06 density functional methods as well as using a DLPNO-CCSD(T) approach. We show that asymmetric carbenes bearing a benzyl and a mesityl moiety are predicted...

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Hauptverfasser:	M odzikowska, K, Rajkiewicz, A. A, Grela, K, Trzaskowski, B
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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