Rotational spectrum of the trimethylphosphine-hydrogen fluoride complex

S. A. Cooke; A. C. Legon

doi:10.1016/S0009-2614(98)00267-X

Rotational spectrum of the trimethylphosphine-hydrogen fluoride complex

S. A. Cooke
, A. C. Legon

School of Natural Sciences & Social Sciences

Purchase College

University of Exeter

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

The rotational spectra of the four isotopomers (CH₃)₃P⋯HF, (CH₃)₃P⋯DF, (CH₃)₂(¹³CH₃)P⋯HF and (CD₃)₃P⋯HF of a hydrogen-bonded complex formed by trimethylphosphine and hydrogen fluoride have been observed by pulsed-nozzle Fourier-transform microwave spectroscopy. The H, F nuclear spin-spin coupling constant D^HF_aa and the D-nuclear quadrupole coupling constant χ^D_aa were determined for the first two isotopomers. Interpretation of these coupling constants in conjunction with rotational constants and centrifugal distortion constants allows the conclusion that the intermolecular binding is relatively weak (k_σ=17.2(3) N m^-1), with only a small lengthening δr≈0.012 Å of the HF bond on formation of a symmetric-top complex (CH₃)₃P⋯HF having r(P⋯F)=3.120(2) Å.

Original language	English
Pages (from-to)	441-448
Number of pages	8
Journal	Chemical Physics Letters
Volume	288
Issue number	2-4
DOIs	https://doi.org/10.1016/S0009-2614(98)00267-X
State	Published - May 22 1998

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@article{f473a81f21854ef8b4cc70f7715daf9a,

title = "Rotational spectrum of the trimethylphosphine-hydrogen fluoride complex",

abstract = "The rotational spectra of the four isotopomers (CH3)3P⋯HF, (CH3)3P⋯DF, (CH3)2(13CH3)P⋯HF and (CD3)3P⋯HF of a hydrogen-bonded complex formed by trimethylphosphine and hydrogen fluoride have been observed by pulsed-nozzle Fourier-transform microwave spectroscopy. The H, F nuclear spin-spin coupling constant DHFaa and the D-nuclear quadrupole coupling constant χDaa were determined for the first two isotopomers. Interpretation of these coupling constants in conjunction with rotational constants and centrifugal distortion constants allows the conclusion that the intermolecular binding is relatively weak (kσ=17.2(3) N m-1), with only a small lengthening δr≈0.012 {\AA} of the HF bond on formation of a symmetric-top complex (CH3)3P⋯HF having r(P⋯F)=3.120(2) {\AA}.",

author = "Cooke, \{S. A.\} and Legon, \{A. C.\}",

year = "1998",

month = may,

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doi = "10.1016/S0009-2614(98)00267-X",

language = "English",

volume = "288",

pages = "441--448",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "2-4",

}

TY - JOUR

T1 - Rotational spectrum of the trimethylphosphine-hydrogen fluoride complex

AU - Cooke, S. A.

AU - Legon, A. C.

PY - 1998/5/22

Y1 - 1998/5/22

N2 - The rotational spectra of the four isotopomers (CH3)3P⋯HF, (CH3)3P⋯DF, (CH3)2(13CH3)P⋯HF and (CD3)3P⋯HF of a hydrogen-bonded complex formed by trimethylphosphine and hydrogen fluoride have been observed by pulsed-nozzle Fourier-transform microwave spectroscopy. The H, F nuclear spin-spin coupling constant DHFaa and the D-nuclear quadrupole coupling constant χDaa were determined for the first two isotopomers. Interpretation of these coupling constants in conjunction with rotational constants and centrifugal distortion constants allows the conclusion that the intermolecular binding is relatively weak (kσ=17.2(3) N m-1), with only a small lengthening δr≈0.012 Å of the HF bond on formation of a symmetric-top complex (CH3)3P⋯HF having r(P⋯F)=3.120(2) Å.

AB - The rotational spectra of the four isotopomers (CH3)3P⋯HF, (CH3)3P⋯DF, (CH3)2(13CH3)P⋯HF and (CD3)3P⋯HF of a hydrogen-bonded complex formed by trimethylphosphine and hydrogen fluoride have been observed by pulsed-nozzle Fourier-transform microwave spectroscopy. The H, F nuclear spin-spin coupling constant DHFaa and the D-nuclear quadrupole coupling constant χDaa were determined for the first two isotopomers. Interpretation of these coupling constants in conjunction with rotational constants and centrifugal distortion constants allows the conclusion that the intermolecular binding is relatively weak (kσ=17.2(3) N m-1), with only a small lengthening δr≈0.012 Å of the HF bond on formation of a symmetric-top complex (CH3)3P⋯HF having r(P⋯F)=3.120(2) Å.

UR - https://www.scopus.com/pages/publications/0032557340

U2 - 10.1016/S0009-2614(98)00267-X

DO - 10.1016/S0009-2614(98)00267-X

M3 - Article

SN - 0009-2614

VL - 288

SP - 441

EP - 448

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 2-4

ER -

Rotational spectrum of the trimethylphosphine-hydrogen fluoride complex

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