Two-color resonance ionization spectroscopy of highly excited titanium atoms

Matsuoka, Leo; Hasegawa, Shuichi

doi:10.1364/josab.24.002562

Cited by 12 publications

(9 citation statements)

References 14 publications

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“…After taking into account all of these corrections, we arrived at an IE(Ti) value of 6.820 eV at the CCSDTQ/CBS level, which is in good accord with the experimental IE(Ti) = 6.828 12 ± 0.000 01 eV. 64 3.D. 0 K Dissociation Energies of Ti−O and Ti + −O.…”

Section: The Journal Of Physical Chemistry Asupporting

confidence: 77%

“…While the experimental IE(TiO) = 6.819 80 ± 0.000 10 eV 31 and IE(Ti) = 6.828 12 ± 0.000 01 eV 64 ) at CCSDT/aug-cc-pVTZ level. d Spin−orbit coupling obtained at the MRCI level with the uncontracted aug-cc-pVTZ level.…”

Section: The Journal Of Physical Chemistry Amentioning

confidence: 84%

“… a Extrpolated from the core and valence correlation energies with aug-cc-pwCV[T-5]Z and aug-cc-pwCV[Q,5]Z basis sets, respectively. b Core–valence electronic correlation obtained as the energy difference between CCSD(T) and CCSDT levels using the cc-pwCVTZ basis set. c On the basis of the harmonic vibrational frequencies at CCSDTQ/cc-pVTZ level. d SO coupling obtained at the MRCI level with the uncontracted aug-cc-pVTZ level. e Scalar relativistic effect calculated at the CCSD(T)/aug-cc-pV5Z-DK, CCSDT/aug-cc-pVTZ-DK, and CCSDTQ/cc-pVDZ-DK levels. f Higher-order effect calculated at the CCSDT/aug-cc-pVTZ and CCSDTQ/cc-pVDZ levels. g Reference . h Reference . i Reference . j Reference . k Deduced from D 0 (Ti + –O) – D 0 (Ti–O) = 0.008 32 ± 0.000 10 eV and D 0 (Ti–O) = 6.92 ± 0.09 eV; ( D 0 (Ti–O) = 668 ± 8.4 kJ/mol, ref ). l References and . m Deduced from D 0 (Ti + –O) – D 0 (Ti–O) = IE(Ti) – IE(TiO). …”

Section: Resultsmentioning

confidence: 99%

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High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiO_n/TiO_n⁺, n = 1 and 2)

et al. 2017

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The ionization energies (IEs) of TiO and TiO and the 0 K bond dissociation energies (D) and the heats of formation at 0 K (ΔH°) and 298 K (ΔH°) for TiO/TiO and TiO/TiO are predicted by the wave-function-based CCSDTQ/CBS approach. The CCSDTQ/CBS calculations involve the approximation to the complete basis set (CBS) limit at the coupled cluster level up to full quadruple excitations along with the zero-point vibrational energy (ZPVE), high-order correlation (HOC), core-valence (CV) electronic, spin-orbit (SO) coupling, and scalar relativistic (SR) effect corrections. The present calculations yield IE(TiO) = 6.815 eV and are in good agreement with the experimental IE value of 6.819 80 ± 0.000 10 eV determined in a two-color laser-pulsed field ionization-photoelectron (PFI-PE) study. The CCSDT and MRCI+Q methods give the best predictions to the harmonic frequencies: ω (ω) = 1013 (1069) and 1027 (1059) cm and the bond lengths r (r) = 1.625 (1.587) and 1.621 (1.588) Å, for TiO (TiO) compared with the experimental values. Two nearly degenerate, stable structures are found for TiO cation: TiO(C) structure has two equivalent TiO bonds, while the TiO(C) structure features a long and a short TiO bond. The IEs for the TiO(C)←TiO and TiO(C)←TiO ionization transitions are calculated to be 9.515 and 9.525 eV, respectively, giving the theoretical adiabatic IE value in good agreement with the experiment IE(TiO) = 9.573 55 ± 0.000 15 eV obtained in the previous vacuum ultraviolet (VUV)-PFI-PE study of TiO. The potential energy surface of TiO along the normal vibrational coordinates of asymmetric stretching mode (ω) is nearly flat and exhibits a double-well potential with the well of TiO (C) situated around the central well of TiO(C). This makes the theoretical calculation of ω infeasible. For the symmetric stretching (ω), the current theoretical predictions overestimate the experimental value of 829.1 ± 2.0 cm by more than 100 cm. This work together with the previous experimental and theoretical investigations supports the conclusion that the CCSDTQ/CBS approach is capable of providing reliable IE and D predictions for TiO/TiO and TiO/TiO with error limits less than or equal to 60 meV. The CCSDTQ/CBS calculations give the predictions of D(Ti-O) - D(Ti-O) = 0.004 eV and D(O-TiO) - D(O-TiO) = 2.699 eV, which are also consistent with the respective experimental determination of 0.008 32 ± 0.000 10 and 2.753 75 ± 0.000 18 eV.

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Section: The Journal Of Physical Chemistry Asupporting

confidence: 77%

Section: The Journal Of Physical Chemistry Amentioning

confidence: 84%

Section: Resultsmentioning

confidence: 99%

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High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiO_n/TiO_n⁺, n = 1 and 2)

et al. 2017

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“…Two spatially and temporally overlapped laser beams with two colors can be employed in coherent anti-Stokes Raman spectroscopy to study molecular vibrations through nonlinear interactions with samples [4,5]. Some other applications of multicolor lasers include excited-state spectroscopy [6,7] and photomixing processes for terahertz radiation generation [8,9]. The multicolor lasers with good collinearity are particularly important in research since the laser beams of different colors can be copropagated over a long distance, collimated and focused simultaneously.…”

Section: Introductionmentioning

confidence: 99%

Storage ring two-color free-electron laser

Yan

Hao

et al. 2016

Phys. Rev. Accel. Beams

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We report a systematic experimental study of a storage ring two-color free-electron laser (FEL) operating simultaneously in the infrared (IR) and ultraviolet (UV) wavelength regions. The two-color FEL lasing has been realized using a pair of dual-band high-reflectivity FEL mirrors with two different undulator configurations. We have demonstrated independent wavelength tuning in a wide range for each lasing color, as well as harmonically locked wavelength tuning when the UV lasing occurs at the second harmonic of the IR lasing. Precise power control of two-color lasing with good power stability has also been achieved. In addition, the impact of the degradation of FEL mirrors on the two-color FEL operation is reported. Furthermore, we have investigated the temporal structures of the two-color FEL beams, showing simultaneous two-color micropulses with their intensity modulations displayed as FEL macropulses.

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“…Other desirable properties include independent adjustment of lasing wavelengths and full control of the lasing power for each color. A multi-color laser has a wide range of applications in a variety of research areas, including two-color pump-probe experiments [1][2][3], two-photon spectroscopy [4][5][6], excited-state spectroscopy [7,8], coherent anti-Stokes Raman spectroscopy [9,10], and for the generation of tunable laser beams using nonlinear crystals in the terahertz (THz) [11,12], infrared (IR) [13,14], and ultraviolet (UV) or extreme UV regions [15,16]. Since the 1970s, two-color laser operation has been realized using several types of conventional lasers including dye lasers [17][18][19][20], Ti:sapphire lasers [21][22][23][24], diode lasers [25,26], and fiber lasers [27][28][29] by exploring their respective wavelength tunability typically in the visible or IR spectral region.…”

mentioning

confidence: 99%

Widely Tunable Two-Color Free-Electron Laser on a Storage Ring

Yan

Hao

et al. 2015

Phys. Rev. Lett.

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Two-color resonance ionization spectroscopy of highly excited titanium atoms

Cited by 12 publications

References 14 publications

High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiO_n/TiO_n⁺, n = 1 and 2)

High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiO_n/TiO_n⁺, n = 1 and 2)

Storage ring two-color free-electron laser

Widely Tunable Two-Color Free-Electron Laser on a Storage Ring

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Two-color resonance ionization spectroscopy of highly excited titanium atoms

Cited by 12 publications

References 14 publications

High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiOn/TiOn+, n = 1 and 2)

High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiOn/TiOn+, n = 1 and 2)

Storage ring two-color free-electron laser

Widely Tunable Two-Color Free-Electron Laser on a Storage Ring

Contact Info

Product

Resources

About

High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiO_n/TiO_n⁺, n = 1 and 2)

High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiO_n/TiO_n⁺, n = 1 and 2)