Laser Spectroscopy of TiO: Accurate Term Energies for the Singlet States and Ligand Field Assignment of States in the Range 0 to 4 eV

Kaledin, Leonid A.; McCord, John E.; Heaven, Michael C.

doi:10.1006/jmsp.1995.1252

Cited by 54 publications

(57 citation statements)

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“…This parameter has been determined for FeO(X ) atomic configurations, which should account for the majority of the contribution to ô ⌬ , have been predicted facilitating an interpretation ⌳-type doubling in TiO. The energies of these predicted excited states have been shown to agree with the observed energies for the X 3 ⌬, E 3 ⌸, a 1 ⌬, b 1 ⌸, and e 1 ⌺ ϩ electronic states (11). It is worth noting that the spin-spin interaction of TiO(X 3 ⌬) is well explained using second-order spin-orbit interaction between the X 3 ⌬ 2 and a Although õ ⌬ is rather poorly determined (ϭ0.73(61) kHz), it is definitely a small positive value.…”

Section: Discussionmentioning

confidence: 76%

“…The spinorbit coupling constant a 3d has been reported to be 119 cm Ϫ1 (25), and term values for b 1 ⌸ 1 , e 1 ⌺ ϩ , and the E 3 ⌸ 0 states are taken to be 14717, 29961, and 11840 cm Ϫ1 , respectively (11). Using these values and the newly determined value for B, the four possible contributions ô ⌬ (4) arising from the interaction among X 3 ⌬, E 3 ⌸, a 1 ⌬, b 1 ⌸, and e 1 ⌺ ϩ electronic states are given in Table 6.…”

Section: Discussionmentioning

confidence: 99%

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The Pure Rotational Spectra of TiO(X3Δ) and TiN(X2Σ+)

Namiki

Saito

Robinson

et al. 1998

Journal of Molecular Spectroscopy

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Section: Discussionmentioning

confidence: 76%

Section: Discussionmentioning

confidence: 99%

The Pure Rotational Spectra of TiO(X3Δ) and TiN(X2Σ+)

Namiki

Saito

Robinson

et al. 1998

Journal of Molecular Spectroscopy

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“…The validity of the perturbation hyperfine constant Δa can be evaluated by using it to estimate the energy of the nearby a 1 Δ state, which has been experimentally measured to be 3444 cm −1 (Kaledin et al 1995). As described by Flory & Ziurys (2007) and by Balfour et al (1993), an expression Δa can be obtained from second-order perturbation theory:…”

Section: Discussionmentioning

confidence: 99%

“…Amiot et al (1995), for example, conducted laser-induced fluorescence (LIF) measurements of the B 3 Π-X 3 Δ (1, 0) band, and established the most accurate values for spin-orbit and spin-spin constants A and λ for the ground state to date. The C 3 Δ−a 1 Δ and C 3 Δ−X 3 Δ transitions were investigated by Kaledin et al (1995), while the a 1 Δ and b 1 Π states were studied in the infrared by Ram et al (1996). Fletcher et al (1993) also used LIF to record the B-X transition of 47 TiO, and established estimates of the a, b, and eQq 0 hyperfine parameters of this species.…”

Section: Introductionmentioning

confidence: 99%

MILLIMETER/SUBMILLIMETER SPECTROSCOPY OF TiO (X³Δ_r): THE RARE TITANIUM ISOTOPOLOGUES

Lincowski

Halfen

Ziurys

2016

ApJ

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Pure rotational spectra of the rare isotopologues of titanium oxide, 46 TiO, 47 TiO, 49 TiO, and 50 TiO, have been recorded using a combination of Fourier transform millimeter-wave (FTmmW) and millimeter/submillimeter direct absorption techniques in the frequency range 62-538 GHz. This study is the first complete spectroscopic characterization of these species in their X 3 Δ r ground electronic states. The isotopologues were created by the reaction of N 2 O or O 2 and titanium vapor, produced either by laser ablation or in a Broida-type oven, and observed in the natural Ti isotopic abundances. Between 10 and 11 rotational transitions J + 1 « J were measured for each species, typically in all 3 spin-orbit ladders Ω=1, 2, and 3. For 47 TiO and 49 TiO, hyperfine structure was resolved, originating from the titanium-47 and titanium-49 nuclear spins of I=5/2 and 7/2, respectively. For the Ω=1 and 3 components, the hyperfine structure was found to follow a classic Landé pattern, while that for Ω=2 appeared to be perturbed, likely a result of mixing with the nearby isoconfigurational a 1 Δ state. The spectra were analyzed with a case (a) Hamiltonian, and rotational, spin-orbit, and spin-spin parameters were determined for each species, as well as magnetic hyperfine and electric quadrupole constants for the two molecules with nuclear spins. The most abundant species, 48 TiO, has been detected in circumstellar envelopes. These measurements will enable other titanium isotopologues to be studied at millimeter wavelengths, providing Ti isotope ratios that can test models of nucleosynthesis.

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“…Since then there have been several new spectroscopic studies of this molecule. These new experimental data on line positions (Amiot et al 1995(Amiot et al , 1996Kaledin et al 1995;Ram et al 1996;Barnes et al 1997) and theoretical transition moments (Langhoff 1997) allowed an improvement of the TiO line list. Using these new data, Plez (1998) …”

Section: Introductionmentioning

confidence: 95%

Radiative transitions in TiO: Ab initio oscillator strengths and lifetimes for low-lying electronic states

Dobrodey

2001

A&A

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Abstract. The dipole transition moments, oscillator strengths and radiative lifetimes for seven low-lying triplet and ten singlet electronic states of the TiO molecule have been calculated using the multireference singles and doubles configuration interaction method (MRCI) and compared with the available literature data. Our MRCI results support the previous theoretical transition moments reported by Langhoff (1997) for the most of the computed bands except for the δ and φ ones. For the δ band our computed electronic oscillator strength fe is 0.0581 which is considerably smaller than that of Langhoff (0.096). Our fe supports the proposal of Plez (1998) that the value of Langhoff should be divided by ∼2 to match observations. Our MRCI calculations give fe of 0.0668 for the φ band. This is larger than the value of 0.036 obtained by Langhoff. We adduce strong arguments that our fe for the φ band is reasonable. We predict two new 1 Π and one 1 Φ states which exhibit avoided crossings with the known b 1 Π and c 1 Φ states, respectively. These avoided crossings can appreciably perturb the rovibrational levels and, consequently, further complicate the identification of the lines in the experimental spectra. Our calculated transition moments for all the computed electronic states are available at URL http://www.ita.uni-heidelberg.de/research/mld/.

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Laser Spectroscopy of TiO: Accurate Term Energies for the Singlet States and Ligand Field Assignment of States in the Range 0 to 4 eV

Cited by 54 publications

References 0 publications

The Pure Rotational Spectra of TiO(X3Δ) and TiN(X2Σ+)

The Pure Rotational Spectra of TiO(X3Δ) and TiN(X2Σ+)

MILLIMETER/SUBMILLIMETER SPECTROSCOPY OF TiO (X³Δ_r): THE RARE TITANIUM ISOTOPOLOGUES

Radiative transitions in TiO: Ab initio oscillator strengths and lifetimes for low-lying electronic states

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Laser Spectroscopy of TiO: Accurate Term Energies for the Singlet States and Ligand Field Assignment of States in the Range 0 to 4 eV

Cited by 54 publications

References 0 publications

The Pure Rotational Spectra of TiO(X3Δ) and TiN(X2Σ+)

The Pure Rotational Spectra of TiO(X3Δ) and TiN(X2Σ+)

MILLIMETER/SUBMILLIMETER SPECTROSCOPY OF TiO (X3Δr): THE RARE TITANIUM ISOTOPOLOGUES

Radiative transitions in TiO: Ab initio oscillator strengths and lifetimes for low-lying electronic states

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MILLIMETER/SUBMILLIMETER SPECTROSCOPY OF TiO (X³Δ_r): THE RARE TITANIUM ISOTOPOLOGUES