Can Two Trivalent N Atoms Engage in a Direct N∙∙∙N Noncovalent Interaction?
Document Type
Article
Journal/Book Title
Chem. Phys. Lett.
Publication Date
1-1-2011
Volume
514
First Page
32
Last Page
35
Abstract
While the two N atoms of a pair of NH3 molecules do not interact attractively, the replacement of one H with a F atom results in a direct N⋯N noncovalent bond, with an interaction energy of 4 kcal/mol, nearly as strong as a NH⋯N H-bond. Cl or Br-substitution also leads to an attractive force between the two N atoms, although the XN⋯N geometry does not represent a true minimum on the potential energy surface. Trimethylation of the electron donor NH3 strengthens both the NH⋯N and XN⋯N bonds.
Recommended Citation
Can Two Trivalent N Atoms Engage in a Direct N∙∙∙N Noncovalent Interaction? S. Scheiner Chem. Phys. Lett. 2011 514 32-35
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