Vibration spectra of ferroelectric alkali trihydrogen selenites and the nature of the hydrogen bond potential in these crystals

Acharya, Kumara P and Narayanan, PS (1973) Vibration spectra of ferroelectric alkali trihydrogen selenites and the nature of the hydrogen bond potential in these crystals. In: Spectrochimica Acta Part A: Molecular Spectroscopy, 29 (6). pp. 925-934.

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Abstract

Raman spectra of the ferroelectric LiH3 (SeO3)2 and NaH3(SeO3)2 and the anti-ferroelectric KH3 (SeO3)2 have been recorded at room temperature using a He-Ne and also an Ar-ion laser source. The infrared absorption spectra of these crystals and their deuterated analogues have been recorded in the region 400–4000 cm−1 both below and above the Curie temperature. From an analysis of the spectrum in the region 400–900 cm−1 it is concluded that (i) in LiH3 (SeO3)2 the protons are ordered in an asymmetric double minimum potential with a low barrier and the spectrum can be interpreted in terms of HSeO3− and H2SeO3 vibrations, (ii) in NaH3 (SeO3)2 all three protons occupy a single minimum potential at room temperature and below the transition temperature the groups HSeO3− and H2SeO3 are present, (iii) the proton at the inversion centre in KH3(SeO3)2 is in a broad troughed potential well and the low temperature spectrum is more likely to be due to H3SeO3+ and SeO32− species. This deviation of the spectrum from that of the previous two crystals is attributed to the difference in H-bond scheme and hence the absence of any cooperative motion of protons in this crystal.

Item Type:	Journal Article
Publication:	Spectrochimica Acta Part A: Molecular Spectroscopy
Publisher:	Elsevier Science
Additional Information:	Copy right of this article belongs to Elsevier Science
Department/Centre:	Division of Physical & Mathematical Sciences > Physics
Date Deposited:	05 Jan 2010 07:19
Last Modified:	24 Feb 2012 05:14
URI:	http://eprints.iisc.ac.in/id/eprint/23239

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