Abstract
The phenol dimer is a prototype molecular cluster system and is considered as a low-barrier H-bond (LBHB) interaction. The phenol dimer influences and catalyses various transformation in biological system but not identified in solid state yet. In present study, p-nitrophenol dimer (NPD) has been identified in the solid state. N-methylpiperidine (MP) is used to stabilise the NPD dimer and formed a stable MPH(PDA) molecular complex. Instead of p-nitrophenol dimer (NPD), the effect of the nitro group, the role of N-methylpiperidine (MP) and H-bonding interaction in MPH(PDA) have been investigated directly by experimental and theoretical studied. It is observed that extent of π electron delocalisation on p-nitrophenol play an important role on stability of p-nitrophenol dimer (NPD).
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