A band of jethyphen;cooled48Ti2has been located in the near infrared by resonant twohyphen;photon ionization spectroscopy. Rotational analysis has shown the band to be an OHgr;rsquo;=0plusmn;larr;OHgr;lsquo;=1 transition, which is consistent with the3Dgr;gground state proposed by Bauschlicheretal. lsqb;J. Chem. Phys.95, 1057 (1991)rsqb;. The band is assigned as a3Pgr;0ularr;Xthinsp;3Dgr;1gtransition, and lower and upper state bond lengths have been determined asr0(Xthinsp;3Dgr;g)=1.9422plusmn;0.0008 Aring; andr0(3Pgr;u)=1.997plusmn;0.009 Aring; (1sgr; error limits, corrected for spinndash;uncoupling effects). Comparisons are made to the TiV and V2molecules, a rationale for the unusual filling order of the 3dhyphen;based molecular orbitals is provided, and molecular orbital assignments are considered for the excited3Pgr;ustate.
展开▼