Molecular constants of OCS isotopes in the (0110) vibrational state measured by molecular-beam electric-resonance spectroscopy

We present combined experimental and theoretical results on strong-field ionization of oriented carbonyl sulfide molecules by circularly polarized laser pulses. The obtained molecular frame photoelectron angular distributions show pronounced asymmetries perpendicular to the direction of the molecular electric dipole moment. These findings are explained by a tunneling model invoking the laser-induced Stark shifts associated with the dipoles and polarizabilities of the molecule and its unrelaxed cation. The focus of the present article is to understand the strong-field ionization of one-dimensionally-oriented polar molecules, in particular asymmetries in the emission direction of the photoelectrons. In the following article [Phys. Rev. A 83, 023406 (2011)] the focus is to understand strong-field ionization from three-dimensionally-oriented asymmetric top molecules, in particular the suppression of electron emission in nodal planes of molecular orbitals.

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“…= 2.54 D) pointing toward the S end [59]. The OCS molecule has two degenerate HOMO orbitals shown in Fig.…”

Section: Discussionmentioning

confidence: 99%

Ionization of oriented carbonyl sulfide molecules by intense circularly polarized laser pulses

et al. 2011

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“…acquisition time of 0.1024 s, and line broadening of 25 Hz). Substituting the "S nuclear quadrupole coupling constant, 29.12 MHz (17), and the observed line width, 440 2 50 Hz, into eq. [3] implies a rotational correlation time of 0.41 ps for OCS.…”

Section: Methodsmentioning

confidence: 99%

An approximate absolute ³³S nuclear magnetic shielding scale

Wasylishen¹,

Connor²,

Friedrich³

1984

Can. J. Chem.

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. Can. J. Chem. 62, 981 (1984).Sulfur-33 chemical shifts have been measured for a number of simple compounds, e.g. SF6, HFSO,, XzSOz, SOz, CI2SO, CH3SH, H2S, and OCS, which have not been previously reported. Our results indicate that the range of "S chemical shifts is approximately 1000 ppm, slightly less than that observed for 170 and approximately one half the range reported for 77Se. Using the "S nuclear spin-rotation constant of OCS measured by molecular-beam electric resonance and Flygare's procedure, an absolute "S shielding constant of 843 t 12 ppm is calculated for OCS, permitting an approximate absolute shielding scale to be proposed for this nucleus. On a mesure les deplacements chimiques du soufre-33 d'un certain nombrc de composCs simples (comme le SF,, le HFS03, le XZS02, le SOZ, le CIzSO, le CH3SH. le HZS et le OCS) qui n'avaient pas tti CtudiCs antkrieurement. Nos rksultats indiquent que les diplacements chirniques du "S s'etalent sur environ 1000 ppm; cette valeur n'cst que ICgkrement infkrieure aux valeurs observees pour le 170 et n'est approximativement que la moitie de la valeur rapportie pour le 7 7~e .En utilisant la constante de rotation de spin nuclkaire du 33S du OCS niesurCe par resonance electrique de faisceau mol6culaire ct par la mCthode de Flygare, on peut calculer que la constante de blindage du "S du OCS est &gale 843 t 12 ppm; ceci permet de proposer une Cchelle absolue et approximative du blindage provoque par ce noyau.[Traduit par le journal]

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“…The Stark electric field E was determined from calibration measurements with the OC 36 S and 18 OCS isotopologues using a dipole moment of µ = 0.71519(3) D for both species [10].…”

Section: Methodsmentioning

confidence: 99%

Towards the complete analysis of the rotational spectrum of (CH3)3SnCl

Schnell

Hougen

Grabow

2008

Journal of Molecular Spectroscopy

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The rotational spectrum of the symmetric top trimethyl tin chloride (CH 3 ) 3 SnCl has been studied using a pulsed molecular beam Fourier transform microwave spectrometer in the frequency range from 3 to 24 GHz. The spectrum is exceedingly complicated by the internal rotation motions of the three equivalent methyl tops, the high number of Sn-and Cl-isotopes and the quadrupole hyperfine structure of the chlorine nucleus. In this paper, we present the microwave spectrum, ab initio calculations, permutation inversion (PI) group-theoretical considerations, Starkeffect measurements and finally the assignments and fits of the different torsionrotation species. Based on the Stark-effect measurements, the dipole moment is µ = 3.4980(30) D. Due to ∆K = ±1-mixing effects we observe linear Stark-effect behavior and additional quadrupole splitting for some K = 0 torsion-rotation transitions in (CH 3 ) 3 SnCl, which can be group-theoretically explained. The symmetric rotor fit of A 1 states leads to an effective B-constant of 1680.040124(50) MHz for the main isotopologue (CH 3 ) 3 120 Sn 35 Cl. A global fit of 182 K = 0 torsion-rotation transitions yields a V 3 torsional barrier of 148.299(54) cm −1 .

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Molecular constants of OCS isotopes in the (0110) vibrational state measured by molecular-beam electric-resonance spectroscopy

Cited by 207 publications

References 6 publications

Ionization of oriented carbonyl sulfide molecules by intense circularly polarized laser pulses

Ionization of oriented carbonyl sulfide molecules by intense circularly polarized laser pulses

An approximate absolute ³³S nuclear magnetic shielding scale

Towards the complete analysis of the rotational spectrum of (CH3)3SnCl

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Molecular constants of OCS isotopes in the (0110) vibrational state measured by molecular-beam electric-resonance spectroscopy

Cited by 207 publications

References 6 publications

Ionization of oriented carbonyl sulfide molecules by intense circularly polarized laser pulses

Ionization of oriented carbonyl sulfide molecules by intense circularly polarized laser pulses

An approximate absolute 33S nuclear magnetic shielding scale

Towards the complete analysis of the rotational spectrum of (CH3)3SnCl

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An approximate absolute ³³S nuclear magnetic shielding scale