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Dipole moment of the h2so4-h2o complex.
| Content Provider | CiteSeerX |
|---|---|
| Author | Brauer, Carolyn S. Sedo, Galen Leopold, Kenneth R. |
| Abstract | [1] 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 (mT), as well as its projection onto the a-inertial axis of the complex (ma), have been determined for each of two tunneling states, designated A and B. For the A state, mT is 3.024(94) D and ma 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 mT = |
| File Format | |
| Access Restriction | Open |
| Subject Keyword | Dipole Moment H2so4-h2o Complex B-state Value Stark Effect Measurement Pulsed-nozzle Fourier Transform Microwave Spectroscopy Mp2 Aug-cc-pvtz Mp3 Aug-cc-pvdz Level Basis A-inertial Axis Mp2 Aug-cc-pvqz Hf Aug-cc-pvtz Total Dipole Moment Mp2 Aug-cc-pvdz Rotational Transition Experimental Value Ab Initio Calculation Homogeneous Nucleation H2so4-h2o Adduct |
| Content Type | Text |
