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Vibrational fundamentals and thermodynamic functions of molecular boric acid: a re-evaluation of the CsI + H{sub 3}BO{sub 3} reaction

Abstract

Molecular boric acid has been characterised by mass spectrometry and matrix isolation-infrared spectroscopy. These studies have shown that monomeric H{sub 3}BO{sub 3} is a major component in the vaporisation of orthoboric acid. The infrared spectrum of matrix-isolated H{sub 3}BO{sub 3} shows some features in common with that of the solid, but significant frequency shifts occur for modes dominated by hydrogen motion. Isotope enrichment experiments have confirmed that H{sub 3}BO has C{sub 3h} symmetry, and the resulting infrared data have been used to calculate thermodynamic functions for the H{sub 3}BO{sub 3} molecule. These calculated data differ significantly from those tabulated in JANAF, where it is assumed that the torsion modes can be treated as internal rotations. Use of the new data gives equilibrium constants for the reaction CsI(g) + H{sub 3} BO{sub 3}(g) CsB0{sub 2}(c) + HI (g) + H{sub 2}O(g) which are an order of magnitude greater than previously assumed. (author).
Authors:
Dickinson, S.; [1]  Ogden, J. S.; Young, N. A. [2] 
  1. UKAEA Atomic Energy Establishment, Winfrith (United Kingdom). Chemistry Div.
  2. Southampton Univ. (United Kingdom)
Publication Date:
Jun 15, 1988
Product Type:
Conference
Report Number:
AEEW-R-2659; CONF-8806143-
Reference Number:
SCA: 210200; PA: AIX-23:026215; SN: 92000685884
Resource Relation:
Conference: Nuclear reactor severe accident chemistry symposium, Toronto (Canada), 5-10 Jun 1988
Subject:
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS; BORIC ACID; CHEMICAL REACTIONS; CESIUM IODIDES; ENTHALPY; FREE ENERGY; REACTOR ACCIDENTS; SPECIFIC HEAT; VIBRATIONAL STATES; WATER COOLED REACTORS; 210200; POWER REACTORS, NONBREEDING, LIGHT-WATER MODERATED, NONBOILING WATER COOLED
OSTI ID:
10129520
Research Organizations:
UKAEA Atomic Energy Establishment, Winfrith (United Kingdom). Chemistry Div.
Country of Origin:
United Kingdom
Language:
English
Other Identifying Numbers:
Other: ON: DE92620825; TRN: GB9104784026215
Submitting Site:
GBN
Size:
17 p.
Announcement Date:
Apr 03, 1992

Citation Formats

Dickinson, S., Ogden, J. S., and Young, N. A. Vibrational fundamentals and thermodynamic functions of molecular boric acid: a re-evaluation of the CsI + H{sub 3}BO{sub 3} reaction. United Kingdom: N. p., 1988. Web.
Dickinson, S., Ogden, J. S., & Young, N. A. Vibrational fundamentals and thermodynamic functions of molecular boric acid: a re-evaluation of the CsI + H{sub 3}BO{sub 3} reaction. United Kingdom.
Dickinson, S., Ogden, J. S., and Young, N. A. 1988. "Vibrational fundamentals and thermodynamic functions of molecular boric acid: a re-evaluation of the CsI + H{sub 3}BO{sub 3} reaction." United Kingdom.
@misc{etde_10129520,
title = {Vibrational fundamentals and thermodynamic functions of molecular boric acid: a re-evaluation of the CsI + H{sub 3}BO{sub 3} reaction}
author = {Dickinson, S., Ogden, J. S., and Young, N. A.}
abstractNote = {Molecular boric acid has been characterised by mass spectrometry and matrix isolation-infrared spectroscopy. These studies have shown that monomeric H{sub 3}BO{sub 3} is a major component in the vaporisation of orthoboric acid. The infrared spectrum of matrix-isolated H{sub 3}BO{sub 3} shows some features in common with that of the solid, but significant frequency shifts occur for modes dominated by hydrogen motion. Isotope enrichment experiments have confirmed that H{sub 3}BO has C{sub 3h} symmetry, and the resulting infrared data have been used to calculate thermodynamic functions for the H{sub 3}BO{sub 3} molecule. These calculated data differ significantly from those tabulated in JANAF, where it is assumed that the torsion modes can be treated as internal rotations. Use of the new data gives equilibrium constants for the reaction CsI(g) + H{sub 3} BO{sub 3}(g) CsB0{sub 2}(c) + HI (g) + H{sub 2}O(g) which are an order of magnitude greater than previously assumed. (author).}
place = {United Kingdom}
year = {1988}
month = {Jun}
}