Issue 20, 2015

The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

Abstract

A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding. Computations with the model cation [N(PMe3)2]+ indicate that intermolecular hydrogen bonding with this ion's N-atom is possible (−8.3 kcal mol−1 for H2O as hydrogen bond donor), presenting a rare example of pseudo anti electrostatic hydrogen bonding.

Graphical abstract: The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

Supplementary files

Article information

Article type
Communication
Submitted
17 фев. 2015
Accepted
15 апр. 2015
First published
15 апр. 2015
This article is Open Access
Creative Commons BY license

CrystEngComm, 2015,17, 3768-3771

The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

A. Bauzá, A. Frontera, T. J. Mooibroek and J. Reedijk, CrystEngComm, 2015, 17, 3768 DOI: 10.1039/C5CE00352K

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