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• W1998065959 abstract "The capture cross section and rate constant of ion-molecule collisions have been studied in the case when the molecule is diatomic and has a vanishing dipole moment but a nonvanishing quadrupole moment obtained from quantum chemistry as a function of bond length. In addition the ion-induced dipole interaction is accounted for. Calculations have been carried out at three levels of theory: variational transition state theory, effective potential theory and adiabatic capture theory. In the latter the channels are defined by the vib-rot states of the diatomic. Application has been made to Ar+ or N+ + H2 collisions. The results show that in this case the ion-induced dipole interaction is far more significant than the ion-quadrupole interaction. The roles of vibrational-rotational coupling and orbital angular momentum are considered by comparison of weak (Lorb conserving) and strong coupling theories. The range of validity of the perturbation treatment of the coupling is analyzed. Special attention is directed to the magnitude of the quantum effects introduced through the channel eigenvalues of the adiabatic capture theories." @default.
• W1998065959 created "2016-06-24" @default.
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• W1998065959 date "1992-11-01" @default.
• W1998065959 modified "2023-10-16" @default.
• W1998065959 title "Complex formation in X+ + H2 collisions. Statistical estimation of ion-quadrupole capture rate constants" @default.
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• W1998065959 doi "https://doi.org/10.1016/0301-0104(92)80031-p" @default.
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