Interplay of unique N⋯π pnicogen and H⋯π/H⋯O hydrogen bonding interactions in the heterodimers of nitromethane with acetylene and benzene as π-electron donors: experimental characterization at low temperatures under isolated conditions with computational corroboration

Abstract

The existence of unique π-hole induced O=N...π pnicogen bonding in combination with C-H...π/C-H...O hydrogen bonding interactions have been experimentally affirmed in the heterodimers of nitromethane with aliphatic (acetylene; NMAc) and...

Structural Elucidation of N2O Clusters at Low Temperatures: Exemplary Framework Stabilized by π-Hole-Driven N···O and N···N Pnicogen Bonding Interactions

“…From an electrostatic standpoint, these interactions can be categorized as σ-/π-hole-driven interactions. The interest in σ-/π-hole-driven pnicogen bonding interactions has increased in the past two or three decades. ,− …”

“…Nitrogen, the first member of the pnicogen group, was subsequently studied for its pnicogen bonding with model nitromethane and nitrobenzene. In both these molecules, π-hole-driven pnicogen bonding pertaining to N···O, , N···N, and N···π , interactions was highlighted in a number of heterodimers involving these two molecules. A subtle pnicogen character of NH 3 (not driven either by σ-hole or π-holes) was also established in the PCl 3 –NH 3 and CO 2 –NH 3 dimer systems.…”

π‐hole driven N⋅⋅⋅O/N⋅⋅⋅π Pnicogen and C⋅⋅⋅O Tetrel Bonding inNitromethane‐Carbonyl Dimers: Comprehensive Study using Matrix Isolation Infrared Spectroscopy and Quantum Chemical Computations

“…[38][39][40][41][42][43] The prominence of these features has been found to be directly proportional to the polarizability of the atom. [39] All atoms of the pnicogen group starting from phosphorous (P) [32,[44][45][46][47][48][49][50] arsenic (As), [51] antimony (Sb), bismuth (Bi) [52] including the smallest nitrogen (N) [36,[53][54][55] have been found to host pnicogen bonds. The search for N hosted pnicogen bonding has been on, since its discovery, a decade ago.…”