Monohydrides of the Group 13 Elements M = B, Al and Ga: Axial Bi-Nucleophilicity and the Propensity to form both H-M…HX and M-H…HX Hydrogen Bonds ( X = F, Cl, Br, I, CN, CCH, CP).
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DOI: 10.1002/cplu.202400314
Abstract: Equilibrium dissociation energies De of the hydrogen-bonded complexes HAl···HX and HGa···HX (X = F, Cl, Br, I, CN, CCH, and CP) were calculated ab initio at the CCSD(T)-(F12c)/ cc-pVDZ-F12 level of theory. The gradients of… read more here.
Keywords: axial nucleophilicity; elements axial; monohydrides group; group ... See more keywords