The aggregation structure of a methanol/CHCl3 binary mixture investigated by polarized Raman spectroscopy and HNMR

[Display omitted] •The C-O ν⊥& ν∥ polarized Raman show redshift with the dilution of methanol by CHCl3.•The frequency difference |ν⊥-ν∥|increased first and then decrease with dilution.•H-bond cyclic multimer, CHCl3 H-bond multimer and monomer PCM models were established.•The established models f...

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Veröffentlicht in:Journal of molecular liquids 2021-08, Vol.335, p.116224, Article 116224
Hauptverfasser: Han, Yufei, Liu, Ruirui, Jiang, Caiying, Wang, Huigang, Zheng, Xuming
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Sprache:eng
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Zusammenfassung:[Display omitted] •The C-O ν⊥& ν∥ polarized Raman show redshift with the dilution of methanol by CHCl3.•The frequency difference |ν⊥-ν∥|increased first and then decrease with dilution.•H-bond cyclic multimer, CHCl3 H-bond multimer and monomer PCM models were established.•The established models for different concentration can well reproduce the NCE. The structural evolution of methanol in the protic solvent chloroform was studied by polarized Raman spectroscopy. Negative noncoincidence effects were detected for the full range of concentrations of the methanol/CHCl3 binary mixture, that is, ν⊥
ISSN:0167-7322
1873-3166
DOI:10.1016/j.molliq.2021.116224