Intermolecular bending levels in an open-shell diatom-diatom complex: Infraared spectroscopy and model calculatios of the OH-N_2 complex

摘要

A theoretical framework has been developed to describe the bending levels associated with an intermol~cular potential of moderate anisottopy between an open-shell diatom and a diatom partner, such as OH-COor OH-N2. The model explicitly allows for coupling between the electronic and spin angular momenta of the open-shell OH radical and the vibrational angular momentum arising from intermolecular bending motion of the complex. The energies arid wave functions of the intermolecular bending levels for the OH-N2 complex have been computed based on a dipole- quadrupole interaction. The model is used to interpret the infrared spectrum o(the linear OH~N2 complex in the OH overtone region, which has been recorded by detecting the OH fragments from vibrational predissociation. The pure OH overtone band at 6973.54(2) cm~1 and several combination bands, which involve the simultaneous excitation of OH stretching and geared bending modes, have been observed, analyzed, and assigned within the context of the model. In addition, the time evolution and quantum state ~istribution of the OH fragments yield the lifetime for vibrationally activated OH-N2 of 30:!:4 ris and an upper limit for the ground state binding energy of OH-N2', Do~277cm-l.