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Title:Accurate Analytic Potential Functions For The A 3π1 And X 1σ+ States Of Ibr
Author(s):Yukiya, Tokio
Contributor(s):Le Roy, Robert J.; Suzuki, Masao; Nishimiya, Nobuo
Subject(s):Small molecules
Abstract:Spectra of IBr in various wavelength regions have been measured by a number of researchers using traditional diffraction grating and microwave methods, as well as using high-resolution laser techniques combined with a Fourier transform spectrometer.\footnote{\,L.E.Selin,Ark.\ Fys.\ {\bf 21},479(1962).}$^,$\footnote{\,E.\ Tiemann and Th.\ Moeller, Z.\ Naturforsch. A {\bf 30},986 (1975).}$^,$\footnote{\,E.M.\ Weinstock and A.\ Preston, J.\ Mol.\ Spectrosc.\ {\bf 70}, 188 (1978).}$^,$\footnote{\,D.R.T.\ Appadoo, P.F.\ Bernath, and R.J.\ Le\,Roy, Can.\ J.\ Phys.\ {\bf 72}, 1265 (1994).}$^,$\footnote{\,N.\ Nishimiya, T.\ Yukiya and M.\ Suzuki, J.\ Mol.\ Spectrosc.\ {\bf 173}, 8 (1995).} In a previous paper at this meeting, we reported a preliminary determination of analytic potential energy functions for the $A\,^3\Pi_1$ and $X\,^1\Sigma^+$ states of IBr from a direct-potential-fit (DPF) analysis of all of the data available at that time.\footnote{\,T.\ Yukiya, N.\ Nishimiya, and R.J.\ Le Roy, Paper MF12 at the 65$^{th}$ Ohio State University International Symposium on Molecular Spectroscopy, Columbus, Ohio, June 20-24, 2011.} That study also confirmed the presence of anomalous fluctuations in the $v$--dependence of the first differences of the inertial rotational constant, $\Delta B_{v}=B_{v+1}-B_{v}$ in the $A\,^3\Pi_1$ state for vibrational levels with $v'(A)$ in the mid 20's. However, our previous experience in a recent study of the analogous $A\,^3\Pi_1-X\,^1\Sigma_g^+$ system of Br$_2$ suggested that the effect of such fluctuations may be overcome if sufficient data are available.\footnote{\,T.\ Yukiya, N.\ Nishimiya, Y. Samajima, K. Yamaguchi, M. Suzuki, C.D. Boone, I. Ozier and R.J.\ Le Roy, J.\ Mol.\ Spectrosc.\,{\bf 283}, 32 (2013)} The present work therefore reports new measurements of transitions to levels in the $\,v'(A)=23-26\,$ region, together with a new global DPF analysis that uses ``robust'' least-squares fits\footnote{\,J.K.G.\ Watson, J.\ Mol.\ Spectrosc.\ {\bf 219}, 326 (2003).} to average properly over the effect of such fluctuations in order to provide an optimum delineation of the underlying potential energy curve(s).
Issue Date:2014-06-16
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Yukiya, T.; Le Roy, R.; Suzuki, M.; Nishimiya, N. ACCURATE ANALYTIC POTENTIAL FUNCTIONS FOR THE A 3Π1 and X 1Σ+ STATES OF IBr. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.MG03
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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