Abstract
The (D) over tilde (2)Sigma(+) state of CaOH was investigated using optical-optical double resonance spectroscopy. A combined least-squares fit of the (D) over tilde Sigma(+)-(A) over tilde (2)Pi double resonance transition data along with (A) over tilde (2)Pi-(X) over tilde (2)Sigma(+) optical transition data and the millimeter-wave pure rotational data of the (X) over tilde (2)Sigma(+) state was performed using an effective Hamiltonian. The spin-rotation constant was determined for the (D) over tilde (2)Sigma(+) state for the first time. An analysis of these constants showed that the Ca-O bond length and spin-rotation parameter of the (D) over tilde (2)Sigma(+) state have the smallest values of all the observed (2)Sigma(+) states of CaOH. This evidence suggests the assignment of the (D) over tilde (2)Sigma(+) state as arising from a Ca+ atomic orbital of mainly 5s sigma character. This atomic orbital assignment was shown to be consistent with both previous work on CaF and recent theoretical calculations on CaOH. (c) 2006 Elsevier Inc. All rights reserved.
| Original language | English |
|---|---|
| Pages (from-to) | 238-243 |
| Number of pages | 6 |
| Journal | JOURNAL OF MOLECULAR SPECTROSCOPY |
| Volume | 240 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - Dec 2006 |
Keywords
- CaOH
- calcium-bearing molecules
- optical-optical double resonance
- alkaline-earth metal-ligand bonding
- HYDROXIDE RADICALS X(2)SIGMA(+)
- RESOLUTION LASER SPECTROSCOPY
- RENNER-TELLER
- FERMI RESONANCE
- SPIN-ORBIT
- STATE
- DEPERTURBATION
- BAND
- EXCITATION
- X2-SIGMA+