Room Temperature Gibbs Energies of Hydrogen-Bonded Alcohol Dimethylselenide Complexes

Alexander Kjaersgaard; Joseph R. Lane; Henrik G. Kjaergaard

doi:10.1021/acs.jpca.9b06855

Room Temperature Gibbs Energies of Hydrogen-Bonded Alcohol Dimethylselenide Complexes

Alexander Kjaersgaard, Joseph R. Lane, Henrik G. Kjaergaard

Kemisk Institut

5 Citationer (Scopus)

Abstract

A number of hydrogen-bonded complexes, formed between an alcohol donor and dimethylselenide, have been detected experimentally, at room temperature in the gas phase using FTIR spectroscopy. The Gibbs energy of complex formation has been determined from the measured integrated absorbance of the hydrogen-bonded OH stretching band and the calculated oscillator strength of the associated transition. The OH stretching frequency and Gibbs energy of the selenium hydrogen-bonded complexes are compared to those found in complexes with the same donor molecule and either dimethylether (O) or dimethylsulfide (S) as the acceptor molecule. For a given donor, we found a similar OH stretching frequency in the complexes for each of the three acceptors O, S, and Se. However, the Gibbs energies were found to be less positive (i.e., stronger bound) for the dimethylether complexes (OH·O), as compared to the dimethylsulfide (OH·S) and dimethylselenide (OH·Se) complexes, with the latter two having comparable Gibbs energies.

Originalsprog	Engelsk
Tidsskrift	Journal of Physical Chemistry A
Vol/bind	123
Udgave nummer	39
Sider (fra-til)	8427-8434
ISSN	1089-5639
DOI	https://doi.org/10.1021/acs.jpca.9b06855
Status	Udgivet - 3 okt. 2019

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10.1021/acs.jpca.9b06855

Citationsformater

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title = "Room Temperature Gibbs Energies of Hydrogen-Bonded Alcohol Dimethylselenide Complexes",

abstract = "A number of hydrogen-bonded complexes, formed between an alcohol donor and dimethylselenide, have been detected experimentally, at room temperature in the gas phase using FTIR spectroscopy. The Gibbs energy of complex formation has been determined from the measured integrated absorbance of the hydrogen-bonded OH stretching band and the calculated oscillator strength of the associated transition. The OH stretching frequency and Gibbs energy of the selenium hydrogen-bonded complexes are compared to those found in complexes with the same donor molecule and either dimethylether (O) or dimethylsulfide (S) as the acceptor molecule. For a given donor, we found a similar OH stretching frequency in the complexes for each of the three acceptors O, S, and Se. However, the Gibbs energies were found to be less positive (i.e., stronger bound) for the dimethylether complexes (OH·O), as compared to the dimethylsulfide (OH·S) and dimethylselenide (OH·Se) complexes, with the latter two having comparable Gibbs energies.",

author = "Alexander Kjaersgaard and Lane, {Joseph R.} and Kjaergaard, {Henrik G.}",

year = "2019",

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doi = "10.1021/acs.jpca.9b06855",

language = "English",

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journal = "Journal of Physical Chemistry A",

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TY - JOUR

T1 - Room Temperature Gibbs Energies of Hydrogen-Bonded Alcohol Dimethylselenide Complexes

AU - Kjaersgaard, Alexander

AU - Lane, Joseph R.

AU - Kjaergaard, Henrik G.

PY - 2019/10/3

Y1 - 2019/10/3

N2 - A number of hydrogen-bonded complexes, formed between an alcohol donor and dimethylselenide, have been detected experimentally, at room temperature in the gas phase using FTIR spectroscopy. The Gibbs energy of complex formation has been determined from the measured integrated absorbance of the hydrogen-bonded OH stretching band and the calculated oscillator strength of the associated transition. The OH stretching frequency and Gibbs energy of the selenium hydrogen-bonded complexes are compared to those found in complexes with the same donor molecule and either dimethylether (O) or dimethylsulfide (S) as the acceptor molecule. For a given donor, we found a similar OH stretching frequency in the complexes for each of the three acceptors O, S, and Se. However, the Gibbs energies were found to be less positive (i.e., stronger bound) for the dimethylether complexes (OH·O), as compared to the dimethylsulfide (OH·S) and dimethylselenide (OH·Se) complexes, with the latter two having comparable Gibbs energies.

AB - A number of hydrogen-bonded complexes, formed between an alcohol donor and dimethylselenide, have been detected experimentally, at room temperature in the gas phase using FTIR spectroscopy. The Gibbs energy of complex formation has been determined from the measured integrated absorbance of the hydrogen-bonded OH stretching band and the calculated oscillator strength of the associated transition. The OH stretching frequency and Gibbs energy of the selenium hydrogen-bonded complexes are compared to those found in complexes with the same donor molecule and either dimethylether (O) or dimethylsulfide (S) as the acceptor molecule. For a given donor, we found a similar OH stretching frequency in the complexes for each of the three acceptors O, S, and Se. However, the Gibbs energies were found to be less positive (i.e., stronger bound) for the dimethylether complexes (OH·O), as compared to the dimethylsulfide (OH·S) and dimethylselenide (OH·Se) complexes, with the latter two having comparable Gibbs energies.

U2 - 10.1021/acs.jpca.9b06855

DO - 10.1021/acs.jpca.9b06855

M3 - Journal article

C2 - 31490072

SN - 1089-5639

VL - 123

SP - 8427

EP - 8434

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 39

ER -

Room Temperature Gibbs Energies of Hydrogen-Bonded Alcohol Dimethylselenide Complexes

Abstract

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