Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur

Lin Du; Shanshan Tang; Anne Schou Hansen; Benjamin Normann Frandsen; Zeina Maroun; Henrik Grum Kjærgaard

doi:10.1016/j.cplett.2016.11.045

Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur

Lin Du, Shanshan Tang, Anne Schou Hansen, Benjamin Normann Frandsen, Zeina Maroun, Henrik Grum Kjærgaard

Department of Chemistry

26 Citations (Scopus)

Abstract

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

Original language	English
Journal	Chemical Physics Letters
Volume	667
Pages (from-to)	146-153
Number of pages	8
ISSN	0009-2614
DOIs	https://doi.org/10.1016/j.cplett.2016.11.045
Publication status	Published - 1 Jan 2017

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title = "Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur",

abstract = "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",

author = "Lin Du and Shanshan Tang and Hansen, {Anne Schou} and Frandsen, {Benjamin Normann} and Zeina Maroun and Kj{\ae}rgaard, {Henrik Grum}",

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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 - 2017/1/1

Y1 - 2017/1/1

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

SN - 0009-2614

VL - 667

SP - 146

EP - 153

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur

Abstract

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