Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur
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Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur. / Du, Lin; Tang, Shanshan; Hansen, Anne Schou; Frandsen, Benjamin Normann; Maroun, Zeina; Kjærgaard, Henrik Grum.
I: Chemical Physics Letters, Bind 667, 2017, s. 146-153.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur
AU - Du, Lin
AU - Tang, Shanshan
AU - Hansen, Anne Schou
AU - Frandsen, Benjamin Normann
AU - Maroun, Zeina
AU - Kjærgaard, Henrik Grum
PY - 2017
Y1 - 2017
N2 - The Osingle bondH⋯O and Osingle bondH⋯S hydrogen bonds were investigated by gas phase FTIR spectroscopy of alcohol–dimethylether and alcohol–dimethylsulfide complexes, with alcohols of increasing hydrogen bond donor strength; methanol (MeOH), ethanol (EtOH) and 2,2,2-trifluoroethanol (TFE). The TFE complexes are more stable and form stronger hydrogen bonds compared to complexes with MeOH and EtOH, which are comparable, and only for the stronger hydrogen bond donor (TFE) are the small differences in acceptor molecules highlighted. The equilibrium constant for complex formation was determined from the experimental and calculated intensity of the OH-stretching transition. The interactions are illustrated by theoretical calculations and topological analysis
AB - The Osingle bondH⋯O and Osingle bondH⋯S hydrogen bonds were investigated by gas phase FTIR spectroscopy of alcohol–dimethylether and alcohol–dimethylsulfide complexes, with alcohols of increasing hydrogen bond donor strength; methanol (MeOH), ethanol (EtOH) and 2,2,2-trifluoroethanol (TFE). The TFE complexes are more stable and form stronger hydrogen bonds compared to complexes with MeOH and EtOH, which are comparable, and only for the stronger hydrogen bond donor (TFE) are the small differences in acceptor molecules highlighted. The equilibrium constant for complex formation was determined from the experimental and calculated intensity of the OH-stretching transition. The interactions are illustrated by theoretical calculations and topological analysis
U2 - 10.1016/j.cplett.2016.11.045
DO - 10.1016/j.cplett.2016.11.045
M3 - Journal article
VL - 667
SP - 146
EP - 153
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -
ID: 176370912