The permanent electric dipole moments of the ,, and   states of titanium monoxide, TiO

Steimle, Timothy C.; Virgo, Wilton L.

doi:10.1016/j.cplett.2003.09.102

Cited by 30 publications

(31 citation statements)

References 10 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This is in line with the large values for the dipole moment obtained by CCSD(T) and B3LYP; agreement with CC method is particularly reassuring. In addition, there are to our knowledge only two experimental measurements of the dipole moment [19,22] from the same group, which report significantly different moments(2.96 versus 3.34 Debye). This may indicate a sizeable uncertainty in the experiment as well.…”

Section: Discussionmentioning

confidence: 99%

Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo

Wagner

Mitáš

2007

The Journal of Chemical Physics

View full text Add to dashboard Cite

The transition metal-oxygen bond appears very prominently throughout chemistry and solidstate physics. Many materials, from biomolecules to ferroelectrics to the components of supernova remnants contain this bond in some form. Many of these materials' properties depend strongly on fine details of the TM-O bond, which makes accurate calculations of their properties very challenging. Here we report on highly accurate first principles calculations of the properties of TM monoxide molecules within fixed-node Diffusion Monte Carlo and Reptation Monte Carlo.

show abstract

Section: Discussionmentioning

confidence: 99%

Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo

Wagner

Mitáš

2007

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…The rotational spectrum of TiO had been measured to high accuracy in the laboratory by Namiki et al (1988) and the dipole moment was measured recently (μ = 3.34 D; Steimle & Virgo 2003). Starting with the J = 3 → 2 transition, roughly every 32 GHz there is a rotational transition (J → J) separated by 3-4 GHz from the corresponding transition in the next lower or higher fine structure component.…”

Section: Tio In the Sma Surveymentioning

confidence: 99%

Pure rotational spectra of TiO and TiO₂in VY Canis Majoris

Kamiński

Gottlieb

Menten

et al. 2013

A&A

View full text Add to dashboard Cite

We report the first detection of pure rotational transitions of TiO and TiO 2 at (sub-)millimeter wavelengths towards the red supergiant VY CMa. A rotational temperature, T rot , of about 250 K was derived for TiO 2 . Although T rot was not well constrained for TiO, it is likely somewhat higher than that of TiO 2 . The detection of the Ti oxides confirms that they are formed in the circumstellar envelopes of cool oxygen-rich stars and may be the "seeds" of inorganic-dust formation, but alternative explanations for our observation of TiO and TiO 2 in the cooler regions of the envelope cannot be ruled out at this time. The observations suggest that a significant fraction of the oxides is not converted to dust, but instead remains in the gas phase throughout the outflow.

show abstract

“…This gradient can be easily achieved with water-cooled electromagnets [12] or rare-earth permanent magnets [34]. In contrast, the large (≈ 3 Debye [27]) electric dipole moment of TiO and its extremely small ground-state Λ−doublet spacing [26] mean that electric fields of only 1 V/cm will give Stark shifts of about 50γ -far more than the Zeeman shift within the ER-MOT and thus sufficient to reproject m J . These small fields can easily be switched with rise times on the order of 10 ns (a frequency of 2800γ and 56 times the Larmor frequency due to the electric field), and thus nonadiabaticity is assured.…”

mentioning

confidence: 99%

“…Of these candidates, we chose to focus on TiO, due to its viability in its absolute ground state and the breadth of spectroscopy and theory available in the literature [19,21,22,23,24,25,26,27,28]. A simplified level structure of TiO is shown in Fig.…”

mentioning

confidence: 99%

Magneto-optical Trap for Polar Molecules

et al. 2008

View full text Add to dashboard Cite

We propose a method for laser cooling and trapping a substantial class of polar molecules, and in particular titanium (II) oxide (TiO). This method uses pulsed electric fields to nonadiabatically remix the ground-state magnetic sublevels of the molecule, allowing us to build a magneto-optical trap (MOT) based on a quasi-cycling J ′ = J ′′ − 1 transition. Monte-Carlo simulations of this electrostatically remixed MOT (ER-MOT) demonstrate the feasibility of cooling TiO to a temperature of 10 µK and trapping it with a radiation-pumping-limited lifetime on the order of 80 ms.PACS numbers: 37.10. Pq, 37.10.Mn, 37.10.Vz The field of ultracold polar molecules has recently made great strides. Coherent optical transfer of magneto-associated molecules can now produce ultracold molecular gases in the X 1 Σ (v = 0) ground state with densities of 10 12 cm −3 and translational temperatures of 350 nK [1]. Incoherent photoassociation techniques can reach the X 1 Σ (v = 0) ground state at 100 µK [2]. With these temperatures and the reasonably large electric dipole moments available from heteronuclear bialkali molecules (e. g. 0.76 D for X 1 Σ (v = 0) KRb [3]), progress towards quantum simulations of condensed matter systems [4,5] and quantum computation [6,7] should be rapid. In fields such as ultracold chemistry [8], access to molecular species beyond the bialkali family is of great interest. Arbitrary species can be cooled to the kelvin regime through buffer-gas cooling [9,10], while Stark deceleration [11,12] reaches the tens of millikelvin level for selected light molecules. Unfortunately, there is no demonstrated technique to further compress and cool the lukewarm molecular clouds resulting from the latter two techniques. Even cavitymediated schemes for molecular laser cooling [13,14,15,16], while in the abstract highly attractive methods for cooling a broad, chemically interesting set of molecules, have so far been unable to cool these lukewarm samples, due to the schemes' low scattering rates [15], small cavity mode volumes [16], and requirement of multiparticle collective effects [13,14].Direct, free-space laser cooling and trapping would be the ideal method for producing ultracold molecules, just as it is for atoms. Unfortunately, atoms are in general much easier to laser cool than molecules, due to the latter's glaring lack of cycling transitions. Laser cooling generally requires electronic transitions, as vibrational and rotational transitions have impractically long excited state lifetimes unless a cavity is used [16]. Unfortunately, these "electronic" transitions are never purely electronic. Rather, they are rovibronic, and decay into various rotational, vibrational, or hyperfine excited states, as well as the original ground state [17].The branching ratios of these rovibronic decays, however, are governed by the molecular structure and the dipole selection rules. This implies that a clever choice of molecule can greatly reduce the number of possible decays. Decays into excited hyperfine states are impossible in m...

show abstract

The permanent electric dipole moments of the ,, and states of titanium monoxide, TiO

Cited by 30 publications

References 10 publications

Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo

Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo

Pure rotational spectra of TiO and TiO₂in VY Canis Majoris

Magneto-optical Trap for Polar Molecules

Contact Info

Product

Resources

About

The permanent electric dipole moments of the ,, and states of titanium monoxide, TiO

Cited by 30 publications

References 10 publications

Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo

Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo

Pure rotational spectra of TiO and TiO2in VY Canis Majoris

Magneto-optical Trap for Polar Molecules

Contact Info

Product

Resources

About

Pure rotational spectra of TiO and TiO₂in VY Canis Majoris