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New Rotation-Vibration Band and Potential Energy Function of NeH+ in the Ground Electronic State
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SYSNO ASEP 0101126 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title New Rotation-Vibration Band and Potential Energy Function of NeH+ in the Ground Electronic State Title Nový rotačně-vibrační pás a potenciální energetická funkce NeH+ v jeho základním stavu Author(s) Civiš, Svatopluk (UFCH-W) RID, ORCID, SAI
Šebera, Jakub (UFCH-W) ORCID, RID
Špirko, Vladimír (UFCH-W)
Fišer, J. (CZ)
Kraemer, W. P. (DE)
Kawaguchi, K. (JP)Source Title Journal of Molecular Structure. - : Elsevier - ISSN 0022-2860
695-696, č. 1 (2004), s. 5-11Number of pages 7 s. Language eng - English Country NL - Netherlands Keywords diatomic-molecules ; curve method ; spectra Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LN00A032 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GA203/01/0618 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z4040901 - UFCH-W Annotation The Fourier transform emission spectrum of (NeH+)-Ne-20 in its (1)Sigma(+) ground electronic state was observed in the infrared spectral region at an apodized resolution of 0.02 cm(-1). The wavenumbers of the observed lines were assigned and fitted within the framework of the Dunham expansion and reduced potential curve (RPC) methods making use of ab initio potentials calculated to high accuracy. Of the total of 122 lines observed, 40 lines are newly assigned, including the new 4 --> 3 vibrational band. The global potential energy function arising from the RPC analysis provides a very close description of the mobility data for H+ and D+ ions in Ne gas and of the long-range induction interaction data thus indicating high reliability of its predictive power. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2005
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