Electronic transition moment of the AΠr-XΣ system of TiN |
| |
Authors: | Haruhiko Ito Kei-ichi C NamikiTsutomu Tojo Yohji MiyamotoMasami Ohtaka |
| |
Institution: | Department of Chemistry, Nagaoka University of Technology, Kamitomioka 1603-1, Nagaoka 940-2188, Niigata, Japan |
| |
Abstract: | The A2Πr-X2Σ+ transition of TiN was observed by the dispersed laser induced fluorescence (DLIF) spectroscopy. The relative intensities of the DLIF spectra were analyzed to determine the dependence of the electronic transition moment, Re(r), on the internuclear distance, r, as Re(r)∝{1−0.281(26)r} (1.380 Å≤r≤1.823 Å). This r-dependence was analyzed simultaneously with the reported values of the spin-orbit constants for A2Πr and the hyperfine-coupling constants for X2Σ+ to evaluate the ionic character of the TiN bond, the 4s atomic character in the 9σ orbital of X2Σ+, and the 4p atomic character in the 4π orbital of A2Πr. These characters were confirmed to be in accordance with the reported theoretical prediction. A strong r-dependence was indicated for the 3d-4p mixing in the A2Πr state due to the configuration mixing of the Ti(3d4) and Ti(3d34p) states at a large internuclear distance. |
| |
Keywords: | Radical Electronic spectroscopy Laser spectroscopy TiN Electronic state |
本文献已被 ScienceDirect 等数据库收录! |
|