Abstract

The presence of a π-hole driven OC…N tetrel bond sustaining the most stable geometry of heterodimers of NH3 with CO2 is evidenced by matrix isolation infrared spectroscopy in combination with quantum chemical computations. The co-existence of a weak H-N…O pnicogen bond alongside the tetrel bond is revealed during the analysis of the electronic structure of heterodimer. Intriguing behaviour of nitrogen in ammonia is observed: i) its very weak electrophilicity ii) its nucleophilic role apparently being independent of the orientation of its non-bonding electron pair.

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