Accurate Analytic Potential Functions For The A 3π1 And X 1σ+ States Of Ibr

Yukiya, Tokio

Permalink

https://hdl.handle.net/2142/51030 Copy

Description

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

Issue Date

2014-06-16

Keyword(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).

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/51030

DOI

https://doi.org/10.15278/isms.2014.MG03

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/

Owning Collections