Catalytic amidation : One boron, one amine

DOI: 10.14469/hpc/14979 Metadata

Created: 2025-02-14 17:37

Last modified: 2025-03-03 05:47

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 calculations

Member of collection / collaboration

DOIDescription
10.14469/hpc/11903 An exploration of the mechanism of the amidation reaction using ArB(OH)2 catalysts

Members

DOIDescription
10.14469/hpc/15015 TS C-O break, TZVPP One boron one amine G =-2036.832359 (Reactants -2,036.892645) DG = 37.8 IRC forward
10.14469/hpc/12071 TS C-O break, TZVPP G =-2036.832359 (Reactants -2,036.892645) DG = 37.8

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