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Title:Analytic Empirical Potentials For All Stable Isotopologues Of The Ground X(1σ+) State Of Zno From Purely Rotational Measurements
Author(s):Dattani, Nikesh S.
Contributor(s):Ziurys, Lucy; Le Roy, Robert J.; Johnson, Erin R; Sun, Ming; Zack, Lindsay
Subject(s):Mini-symposium: Astronomical Molecular Spectroscopy in the Age of ALMA
Abstract:We report eight new ultra-high precision ($\pm$5 kHz) measurements of purely rotational $N(1\leftarrow0)$ transitions in several vibrational states of all stable isotopologues of the ground $X(1^{1}\Sigma^{+})$ -state of ZnO. Combined with previous high-resolution ($\pm$50 kHz) measurements of purely rotational transitions between higher rotational states for the same system\footnote{L. N. Zack, R. L. Pulliam, L. M. Ziurys, \textit{J. Mol. Spec.}, \textbf{256}, 186-191 (2009).}, we are able to build analytic potentials for $^{64}$Zn$^{16}$O, $^{66}$Zn$^{16}$O, $^{67}$Zn$^{16}$O, $^{68}$Zn$^{16}$O, and $^{70}$Zn$^{16}$O, that are in full agreement with all known spectroscopic measurements of the system. Despite there being absolutely no vibrational information, our empirical potentials are able to determine the size of the vibrational spacings and the bond lengths, each with a precision of more than two orders of magnitude greater than the most precise empirical values previously known. We then use the XDM method to calculate values for the $C_{6}$, $C_{8}$, and $C_{10}$ long-range constants for this molecule, and use these to accurately anchor the long-range regions of the potentials, where no measurements have yet been performed. In the region lying between the short-range measurements and the long-range theory on which our potentials are based, our final analytic global potentials are in very good agreement with state of the art \textit{ab initio} potentials.
Issue Date:2014-06-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Dattani, N.S.; Ziurys, L.; Le Roy, R.; Johnson, E.R.; Sun, M.; Zack, L. ANALYTIC EMPIRICAL POTENTIALS FOR ALL STABLE ISOTOPOLOGUES OF THE GROUND X(1Σ+) STATE OF ZnO FROM PURELY ROTATIONAL MEASUREMENTS. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.FA11
Genre:Conference Paper / Presentation
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License.
Date Available in IDEALS:2014-09-17

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