FTIR spectroscopy, quantum chemical calculations and time domain reflectometry studies on the behavior of methanol molecules in the environment of dibutyl ether
PP Kannan, NK Karthick, A Mahendraprabu… - Journal of Molecular …, 2019 - Elsevier
FTIR spectra of neat dibutyl ether (DBE), methanol (MeOH) and their binary solutions at
different mole fractions have been recorded at room temperature. The density functional
theory (DFT) calculations have been carried out on DBE monomer, MeOH (monomer, dimer,
timer, tetramer, pentamer and hexamer) and DBE-MeOH H-bonded networks. These studies
reveal that neat MeOH is a mixture of more than one type of multimers while the solution
may consists of any of the combination of neat DBE/MeOH multimers which do not …
different mole fractions have been recorded at room temperature. The density functional
theory (DFT) calculations have been carried out on DBE monomer, MeOH (monomer, dimer,
timer, tetramer, pentamer and hexamer) and DBE-MeOH H-bonded networks. These studies
reveal that neat MeOH is a mixture of more than one type of multimers while the solution
may consists of any of the combination of neat DBE/MeOH multimers which do not …
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