Electric dipole moment of sulfuric acid from Fourier transform microwave spectroscopy

Galen Sedo; Jane Schultz; Kenneth R. Leopold

doi:10.1016/j.jms.2007.09.016

Electric dipole moment of sulfuric acid from Fourier transform microwave spectroscopy

Galen Sedo, Jane Schultz, Kenneth R. Leopold

Chemistry (Twin Cities)

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

14 Scopus citations

Abstract

The electric dipole moment of H₂SO₄ in the gas phase has been measured using pulsed-nozzle Fourier transform microwave spectroscopy. Ninety one Stark-shifted frequencies at a series of electric field strengths have been recorded for the 1₁₀ ← 0₀₀ transition. The total molecular dipole moment (μ_tot = μ_c) was determined to be 2.9643(67) D. This is approximately 0.24 D greater than the previous literature value obtained from similar measurements on the 6₄₃ ← 5₃₃ transition. Both ab initio and DFT calculations using Dunning's aug-cc-pVnZ (n = D, T, Q, Q+d) basis sets concur with the present result.

Original language	English (US)
Pages (from-to)	4-8
Number of pages	5
Journal	Journal of molecular spectroscopy
Volume	251
Issue number	1-2
DOIs	https://doi.org/10.1016/j.jms.2007.09.016
State	Published - Sep 2008

Bibliographical note

Funding Information:
This work was supported by the National Science Foundation (Grant # CHE-0514256), the donors of the Petroleum Research Fund, administered by the American Chemical Society, and the Minnesota Supercomputer Institute. We are grateful to Professor Chris Cramer for helpful advice.

Keywords

Dipole moment
Microwave
Nucleation
Sulfuric acid

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title = "Electric dipole moment of sulfuric acid from Fourier transform microwave spectroscopy",

abstract = "The electric dipole moment of H2SO4 in the gas phase has been measured using pulsed-nozzle Fourier transform microwave spectroscopy. Ninety one Stark-shifted frequencies at a series of electric field strengths have been recorded for the 110 ← 000 transition. The total molecular dipole moment (μtot = μc) was determined to be 2.9643(67) D. This is approximately 0.24 D greater than the previous literature value obtained from similar measurements on the 643 ← 533 transition. Both ab initio and DFT calculations using Dunning's aug-cc-pVnZ (n = D, T, Q, Q+d) basis sets concur with the present result.",

keywords = "Dipole moment, Microwave, Nucleation, Sulfuric acid",

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note = "Funding Information: This work was supported by the National Science Foundation (Grant # CHE-0514256), the donors of the Petroleum Research Fund, administered by the American Chemical Society, and the Minnesota Supercomputer Institute. We are grateful to Professor Chris Cramer for helpful advice. ",

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AU - Schultz, Jane

AU - Leopold, Kenneth R.

N1 - Funding Information: This work was supported by the National Science Foundation (Grant # CHE-0514256), the donors of the Petroleum Research Fund, administered by the American Chemical Society, and the Minnesota Supercomputer Institute. We are grateful to Professor Chris Cramer for helpful advice.

PY - 2008/9

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N2 - The electric dipole moment of H2SO4 in the gas phase has been measured using pulsed-nozzle Fourier transform microwave spectroscopy. Ninety one Stark-shifted frequencies at a series of electric field strengths have been recorded for the 110 ← 000 transition. The total molecular dipole moment (μtot = μc) was determined to be 2.9643(67) D. This is approximately 0.24 D greater than the previous literature value obtained from similar measurements on the 643 ← 533 transition. Both ab initio and DFT calculations using Dunning's aug-cc-pVnZ (n = D, T, Q, Q+d) basis sets concur with the present result.

AB - The electric dipole moment of H2SO4 in the gas phase has been measured using pulsed-nozzle Fourier transform microwave spectroscopy. Ninety one Stark-shifted frequencies at a series of electric field strengths have been recorded for the 110 ← 000 transition. The total molecular dipole moment (μtot = μc) was determined to be 2.9643(67) D. This is approximately 0.24 D greater than the previous literature value obtained from similar measurements on the 643 ← 533 transition. Both ab initio and DFT calculations using Dunning's aug-cc-pVnZ (n = D, T, Q, Q+d) basis sets concur with the present result.

KW - Dipole moment

KW - Microwave

KW - Nucleation

KW - Sulfuric acid

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Electric dipole moment of sulfuric acid from Fourier transform microwave spectroscopy

Abstract

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Keywords

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