Laser spectroscopy of iridium monohydride and iridium monodeuteride

Adam, A. G.; Granger, A. D.; Linton, C.; Tokaryk, D. W.

doi:10.1016/j.cplett.2012.03.038

Cited by 6 publications

(7 citation statements)

References 22 publications

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“…For the least squares fit, the term energies of each state were represented by T = Trot + Wmhf + WQ (1) where the rotational energy is given by…”

Section: Results: (A) Hyperfine Structurementioning

confidence: 99%

“…The three ab-initio calculations on IrH [18][19][20] were discussed in our previous paper [1]. None of them predicted a ground 3 Φ state and, once spin-orbit effects had been considered, the only calculation of excited states placed the lowest Ω = 4 state, a spinorbit mixture of 3 Φ4 + 1 Γ4, at ~12000 cm -1 above the ground state [18].…”

Section: Comparison With Theorymentioning

confidence: 99%

“…In a recent publication [1], we reported the first observation and rotational analysis of pulsed laser induced fluorescence (LIF) spectra of IrH and IrD, at medium resolution (FWHM ~ 0.35 cm -1 ), using the laser ablation source at the University of New Brunswick (UNB). Because of the large rotational constant, B, the rotational structure was well resolved but limited to low J lines (up to J~9).…”

Section: Introductionmentioning

confidence: 99%

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Hyperfine structure and Stark effect in the [18.0] 4 − X3Φ4 transition of iridium hydride, IrH and [18.2] 4 − X3Φ4 transition of iridium deuteride, IrD

Linton

Granger

Adam

et al. 2014

Journal of Molecular Spectroscopy

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High resolution spectra of IrH and IrD, with full width at half maximum (FWHM) of ~0.001 cm-1 , have shown well resolved hyperfine structure due to the nuclear spin, I = 3/2, of 193 Ir and 191 Ir. Analysis of the hyperfine structure in the [18.2]4-X 3 Φ4 transition of 193 IrD and 191 IrD yielded well defined magnetic and quadrupole Ir hyperfine parameters which showed that the ground X 3 Φ4 state originates predominantly from the two open-shell Ir(5dπ 3 5dδ 3) configuration with a significant contribution from the four open-shell Ir(5dσ5dπ 3 5dδ 3 6sσ) configuration. Examination of the Stark effect in the [18.0]4-X 3 Φ4 transition of 193 IrH yielded electric dipole moments of 1.23(1) D and 0.76(1) D for the ground and excited states, respectively. The hyperfine constants and the dipole moment of the ground state are seen to follow the trend shown by the isovalent molecules, CoF, CoH and IrF.

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“…For the least squares fit, the term energies of each state were represented by T = Trot + Wmhf + WQ (1) where the rotational energy is given by…”

Section: Results: (A) Hyperfine Structurementioning

confidence: 99%

Section: Comparison With Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Hyperfine structure and Stark effect in the [18.0] 4 − X3Φ4 transition of iridium hydride, IrH and [18.2] 4 − X3Φ4 transition of iridium deuteride, IrD

Linton

Granger

Adam

et al. 2014

Journal of Molecular Spectroscopy

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“…Iridium monoxide was produced in the same University of New Brunswick laser ablation/molecular beam source used to investigate IrP [7], IrF [9] and IrH/D [11]. An iridium rod was ablated with approximately 7 mJ of 355 nm radiation using the third harmonic of a Lumonics HY-400 Nd:YAG laser.…”

Section: Methodsmentioning

confidence: 99%

“…Since these complexes contain active iridium-oxygen moieties it is important to better understand the bonding in the diatomic systems. To date, seven diatomic iridium containing molecules have been studied experimentally: IrO [1][2][3], IrC [4,5], IrN [5], IrP [6,7], IrB [8], IrF [9,10], and IrH/D [11].…”

Section: Introductionmentioning

confidence: 99%

Rotational and hyperfine structure in the [17.6]2.5–X2.5 and [23.3]2.5–X2.5 transitions of iridium monoxide, IrO

Adam¹,

Daigle²,

Esson³

et al. 2013

Journal of Molecular Spectroscopy

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Quantum mechanical study of transition metal hydrides: Comparison of determined molecular properties with experimental data

Vavrečka,

Fatková,

Burda

2024

J Comput Chem

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This study compares results of four relativistic pseudopotential basis sets, which differ mainly by their size: double‐zeta introduced by Hay and Wadt from Los Alamos National Laboratory (LANL2DZ), triple‐zeta based on Stuttgart energy‐consistent scalar‐relativistic pseudopotential (SDD3), its extension with 2fg polarization functions, and combination of Stuttgart pseudopotentials with quintuple‐zeta cc‐pV5Z base (SDD5). Hydrides of transition metals from Cr to Zn group are chosen as reference molecules. The coupled cluster method (CCSD(T)) is used for evaluation of selected molecular characteristics. Interatomic distances, dissociation energies, vibration modes, and anharmonicity constants are determined and compared with available experimental data. As expected, the accuracy of basis depends mainly on its size. However, only moderate modification of SDD3 basis set significantly improves its accuracy, which becomes comparable to the largest basis set. Nevertheless, the time consumption is significantly lower.

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Laser spectroscopy of iridium monohydride and iridium monodeuteride

Cited by 6 publications

References 22 publications

Hyperfine structure and Stark effect in the [18.0] 4 − X3Φ4 transition of iridium hydride, IrH and [18.2] 4 − X3Φ4 transition of iridium deuteride, IrD

Hyperfine structure and Stark effect in the [18.0] 4 − X3Φ4 transition of iridium hydride, IrH and [18.2] 4 − X3Φ4 transition of iridium deuteride, IrD

Rotational and hyperfine structure in the [17.6]2.5–X2.5 and [23.3]2.5–X2.5 transitions of iridium monoxide, IrO

Quantum mechanical study of transition metal hydrides: Comparison of determined molecular properties with experimental data

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