Rotational analysis of the transition of SrNH2

Abstract: The electronic transition of SrNH2 has been recorded at high resolution using laser-ablation/molecular jet techniques. Transitions arising from the and levels have been observed. The data have been analyzed using the S-reduced asymmetric top Hamiltonian to determine rotational and fine structure parameters. The spin–rotation constants of the state were calculated using the pure precession model. These values were found to be in relatively good agreement with the experimentally determined parameters, however slight differences suggest that the unpaired electron in the state is not entirely of p orbital character. A molecular structure was also determined for the state of SrNH2. The strontium–nitrogen bond was found to decrease by 0.011Å while the H–N–H bond angle was found to increase by 2.5° between the and states. A small positive inertial defect was calculated for the state, indicating that the molecule is planar. [Copyright &y& Elsevier]