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.
Original language | English (US) |
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Pages (from-to) | 4-8 |
Number of pages | 5 |
Journal | Journal of molecular spectroscopy |
Volume | 251 |
Issue number | 1-2 |
DOIs | |
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