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Issue 20, 2015
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The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

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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

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Article information


Submitted
17 Feb 2015
Accepted
15 Apr 2015
First published
15 Apr 2015

This article is Open Access

CrystEngComm, 2015,17, 3768-3771
Article type
Communication

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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