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Structural (monomer and dimer), spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and solvent effect (polar and nonpolar) studies of 2‑methoxy-4-vinyl phenol

The structural aspects of 2‑methoxy-4-vinyl phenol (2M4VP) were examined by analyzing both the monomeric and dimeric forms of the highly stable conformer, which were found through a Potential Energy Surface (PES) scan at 170° with energy minima of 0.191 kcal/mol. Experimental and theoretical methods...

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Principais autores: P. Rajkumar, S. Selvaraj, P. Anthoniammal, A. Ram Kumar, K. Kasthuri, S. Kumaresan
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2023-12-01
Serier:Chemical Physics Impact
Fag:
DFT
PES
FMO
Dimer
NBO
MESP
Online adgang:http://www.sciencedirect.com/science/article/pii/S266702242300097X
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