The permanent electric dipole moments of iron monoxide, FeO

Abstract

The Q(4) and R(4) branch features of the (0,0)D (5)Delta(4)-X (5)Delta(4) band system and the Q(3) and R(3) branch features of the (0,0)D (5)Delta(3)-X (5)Delta(3) band system of iron monoxide FeO have been studied by optical Stark spectroscopy. The Stark splittings in the high resolution laser induced fluorescence spectra were analyzed to produce values for the magnitude of the permanent electric dipole moments /mu/ of 4.50+/-0.03, 4.29+/-0.05, 2.53+/-0.04, and 2.58+/-0.06 D for the X (5)Delta(4) (nu=0), X (5)Delta(3) (nu=0), D (5)Delta(4) (nu=0), and D (5)Delta(3) (nu=0) states, respectively. The results are compared to several ab initio predictions and to FeC. The qualitative trends are explained in terms of a molecular orbital correlation picture.

ExoMol line lists - I. The rovibrational spectrum of BeH, MgH and CaH in theX 2Σ+state

“…However, a few lifetime measurements for a number of low‐lying vibrational states v = 0, 1, 2 of the X , A and B states were used to estimate the corresponding oscillator strengths or Einstein coefficients (Klynning et al ; Berg, Ekvall & Kelly ; Liu et al ). The permanent electric dipole moments of CaH were obtained experimentally for a few low electronic states using the Stark effect (Steimle, Chen & Gengler ; Chen & Steimle ).…”

The electric dipole moment of cobalt monoxide, CoO

“…This is generally true for all the other 3d-TMOs. [3][4][5][6][7][8] Although there is a wide variation, the generalized gradient approximation (GGA) functionals, BP86, PBE, and BLYP, give better agreement.…”

“…1, 2 Hence, μ el , along with the energy, bond lengths, and harmonic vibrational frequencies, are routinely predicted for 3d-TMOs. There currently are experimental ground state μ el values for ScO, 3 TiO, 4 VO, 5 CrO, 6 FeO, 7 and CuO, 8 but not for MnO, CoO, and NiO. Zirconium monoxide, ZnO, is generally not considered as a 3d-TMO since Zn + atomic states with an open 3d shell are highly energetic.…”

Fourier transform emission spectroscopy of the E2Π–X2Σ+ transition of CaH and CaD

“…In one publication they reported the study of the A 2 P/B 2 R + -X 2 R + systems using a supersonic molecular beam and laser-induced fluorescence, and modeled the interaction between the A 2 P(v = 1) and B 2 R + (v = 0) vibronic levels [18]. They also studied the Stark effect in the 0-0 band of the A 2 P-X 2 R + transition of CaH [19] and in the 0-0 band of the B 2 R + -X 2 R + transition of CaD [21] in order to determine the permanent dipole moments of the B 2 R + , A 2 P and X 2 R + states. In another study they investigated the Zeeman effect in the ground and low-lying A 2 P and B 2 R + electronic states of CaH [20].…”

“…Steimle and co-workers have carried out a number of recent high precision measurements on the electronic transitions of CaH and CaD [18][19][20][21], motivated in part by the successful magnetic trapping of CaH [22]. In one publication they reported the study of the A 2 P/B 2 R + -X 2 R + systems using a supersonic molecular beam and laser-induced fluorescence, and modeled the interaction between the A 2 P(v = 1) and B 2 R + (v = 0) vibronic levels [18].…”