University of Illinois Urbana-Champaign

Analytic Empirical Potentials For All Stable Isotopologues Of The Ground X(1σ+) State Of Zno From Purely Rotational Measurements

Dattani, Nikesh S.

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FA11_Abstract.pdf
FA11_Abstract.txt
FA11_Presentation.pdf

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https://hdl.handle.net/2142/51204

Description

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
Issue Date
2014-06-20
Keyword(s)
Mini-symposium: Astronomical Molecular Spectroscopy in the Age of ALMA
Date of Ingest
  • 2014-09-17T16:56:28Z
  • 2015-04-14T18:38:20Z
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.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
English
Permalink
http://hdl.handle.net/2142/51204
DOI
https://doi.org/10.15278/isms.2014.FA11
Copyright and License Information
Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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Abstracts & Presentations - 2014 International Symposium on Molecular Spectroscopy PRIMARY