Bound state spectroscopy of NH–He

Kerenskaya, Galina; Schnupf, Udo; Avoird, Ad van der

doi:10.1063/1.1808416

Cited by 10 publications

(8 citation statements)

References 11 publications

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“…The structure of the He-NH complex has been recently characterized via laser excitation of bands associated with the NH X 3 ⌺-A 3 ⌸ transition. 41 The measurement determined the rotational constant of the 4 He-NH complex in the ground state to be B He-NH = 0.334͑2͒ cm −1 , in good agreement with our calculations.…”

Section: Resultssupporting

confidence: 85%

Interaction of NH(XΣ−3) with He: Potential energy surface, bound states, and collisional Zeeman relaxation

Cybulski

Krems

Sadeghpour

et al. 2005

The Journal of Chemical Physics

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A detailed analysis of the He-NH((3)Sigma(-)) van der Waals complex is presented. We discuss ab initio calculations of the potential energy surface and fitting procedures with relevance to cold collisions, and we present accurate calculations of bound energy levels of the triatomic complex as well as collisional properties of NH molecules in a buffer gas of (3)He. The influence of the external magnetic field used to trap the NH molecules and the effect of the atom-molecule interaction potential on the collisionally induced Zeeman relaxation are explored. It is shown that minute variations of the interaction potential due to different fitting procedures may alter the Zeeman relaxation rate at ultralow temperatures by as much as 50%.

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Section: Resultssupporting

confidence: 85%

Interaction of NH(XΣ−3) with He: Potential energy surface, bound states, and collisional Zeeman relaxation

Cybulski

Krems

Sadeghpour

et al. 2005

The Journal of Chemical Physics

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“…6͒. The 31 3 ← 3 2 1 2 promotion for NH-Rg ͑the A 3 ⌸ -X 3 ⌺ − and c 1 ⌸ − a 1 ⌬ transitions͒ takes the complex from a state where the potential energy surface is weakly anisotropic to one where the surface has minima for the linear geometries and a saddle point for side-on approach 48,49,52,58,65,66 ͑again, the same topology as Fig. 6͒.…”

Section: Discussionmentioning

confidence: 87%

Spectroscopic and theoretical characterization of the AΔ2-XΠ2 transition of CH–Ne

Kerenskaya

Schnupf

Basinger

2005

The Journal of Chemical Physics

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The A2delta-X2pi transition of CH-Ne was examined using laser-induced fluorescence and fluorescence depletion techniques. The spectrum was found to be particularly congested due to the large number of bound states derived from the CH(A,n=2)+Ne interaction, and the small energy spacings between these states resulting from the relatively weak anisotropy of the van der Waals bond. High-level ab initio calculations were used to generate two-dimensional potential energy surfaces for CH(X)-Ne and CH(A)-Ne. The equilibrium structures from these surfaces were bent and linear for the X and A states, respectively. Variational calculations were used to predict the bound states supported by the ab initio surfaces. Empirical modification of the potential energy surfaces for the A state was used to obtain energy-level predictions that were in good agreement with the experimental results. Transitions to all of the optically accessible internal rotor states of CH(A,n=2)-Ne were identified, indicating that CH performs hindered internal rotations in the lowest-energy levels of the A and X states. The characteristics of the potential energy surfaces for CH-Ne in the X,A,B, and C states suggest that dispersion and exchange repulsion forces dominate the van der Waals interaction.

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“…The interactions between triplet states of the NH radical and rare gas atoms have been the subject of several experimental and theoretical studies. [1][2][3][4][5][6][7][8][9][10][11][12] These systems provide convenient and tractable models for investigating the collision dynamics associated with 3 S and 3 P states. Theoretical treatments of the dynamics using ab initio methods provide a rigorous test of the current capabilities for computing long-range forces for openshell systems.…”

Section: Introductionmentioning

confidence: 99%

“…Theoretical treatments of the dynamics using ab initio methods provide a rigorous test of the current capabilities for computing long-range forces for openshell systems. 3,7,13 Recently, additional interest in the low temperature dynamics of NH(X 3 S À ) þ Rg collisions has been stimulated by recognition that NH(X) could be cooled to ultralow temperatures and trapped. 8,10,14 Experimental studies of the inelastic collisions of NH(X) with He, 5 Ne 4 and Ar 6 have been carried out.…”

Section: Introductionmentioning

confidence: 99%

“…The existence of this bound state has been confirmed recently as the NH(X)-He van der Waals complex was detected using laser excitation of the A-X transition. 7 NH-Ar and NH-Ne complexes in singlet states have been studied by observing bands associated with the NH c 1 P-a 1 D transition. 16,17 The spectra obtained in these experiments were congested and particularly difficult to analyze.…”

Section: Introductionmentioning

confidence: 99%

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Experimental and theoretical investigation of the A³Π–X³Σ⁻transition of NH/D–Ne

Kerenskaya

Schnupf

Avoird

et al. 2005

Phys. Chem. Chem. Phys.

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A study of NH/D-Ne was undertaken to investigate the structure of this complex and examine the ability of high-level theoretical methods to predict its properties. The A 3pi-X 3sigma- transition was characterized using laser induced fluorescence measurements. Results from theoretical calculations were used to guide the interpretation of the spectra. Two-dimensional potential energy surfaces were calculated using second-order multireference perturbation theory with large correlation consistent basis sets. The potential energy surfaces were used to predict the ro-vibronic structure of the A-X system. Calculated ro-vibronic energy level patterns could be recognized in the spectra but quantitative discrepancies were found. These discrepancies are attributed to incomplete recovery of the dynamical correlation energy.

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Bound state spectroscopy of NH–He

Cited by 10 publications

References 11 publications

Interaction of NH(XΣ−3) with He: Potential energy surface, bound states, and collisional Zeeman relaxation

Interaction of NH(XΣ−3) with He: Potential energy surface, bound states, and collisional Zeeman relaxation

Spectroscopic and theoretical characterization of the AΔ2-XΠ2 transition of CH–Ne

Experimental and theoretical investigation of the A³Π–X³Σ⁻transition of NH/D–Ne

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Bound state spectroscopy of NH–He

Cited by 10 publications

References 11 publications

Interaction of NH(XΣ−3) with He: Potential energy surface, bound states, and collisional Zeeman relaxation

Interaction of NH(XΣ−3) with He: Potential energy surface, bound states, and collisional Zeeman relaxation

Spectroscopic and theoretical characterization of the AΔ2-XΠ2 transition of CH–Ne

Experimental and theoretical investigation of the A3Π–X3Σ−transition of NH/D–Ne

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Experimental and theoretical investigation of the A³Π–X³Σ⁻transition of NH/D–Ne