Dipole moment of the H2SO4-H2O complex

Details Dipole moment of the H2SO4-H2O complex Dipole moment of the H2SO4-H2O complex

Dec 2006

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2006georl..3323805b&link_type=abstract

Geophysical Research Letters, Volume 33, Issue 23, CiteID L23805

Physics

3

Atmospheric Composition And Structure: Aerosols And Particles (0345, 4801, 4906), Atmospheric Composition And Structure: Troposphere: Constituent Transport And Chemistry, Atmospheric Processes: Clouds And Aerosols

Scientific paper

Stark effect measurements have been performed on three rotational transitions of the H2SO4-H2O complex using pulsed-nozzle Fourier transform microwave spectroscopy. The total dipole moment (μT), as well as its projection onto the a-inertial axis of the complex (μa), have been determined for each of two tunneling states, designated A and B. For the A state, μT is 3.024(94) D and μa is 2.630(20) D. For the B state, these values are 3.052(17) and 2.6402(65) D, respectively. Ab initio calculations at the HF/aug-cc-pVTZ, MP2/aug-cc-pVDZ, MP2/aug-cc-pVTZ, MP2/aug-cc-pVQZ, and MP3/aug-cc-pVDZ level/basis set have been performed and compared with experimental values for both H2SO4 and H2SO4-H2O. Models for homogeneous nucleation requiring the dipole moment of the H2SO4-H2O adduct should use the B-state value of μT = 3.052(17) D.

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