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Structure and hydrogen bonding of the hydrated selenite and selenate ions in aqueous solution

Eklund, Lars and Persson, Ingmar (2014). Structure and hydrogen bonding of the hydrated selenite and selenate ions in aqueous solution. Dalton Transactions: an international journal of inorganic chemistry [incorporating Acta Chemica Scandinavica]. 43:17, 6315-6321
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Abstract

The structure and hydrogen bonding of the hydrated selenite, SeO32-, and selenate, SeO42-, ions have been studied in aqueous solution by large angle X-ray scattering (LAXS), EXAFS and double difference infrared (DDIR) spectroscopy. The mean Se-O bond distances are 1.709(2) and 1.657(2) angstrom, respectively, as determined by LAXS, and 1.701(3) and 1.643(3) angstrom by EXAFS. These bond distances are slightly longer than the mean distances found in the solid state, 1.691 and 1.634 angstrom, respectively. The structures of HSeO3-, H2SeO3 and HSeO4- in aqueous solution have been determined by EXAFS giving the same Se-O bond distances as for the selenite and selenate ions, respectively. The mean Se center dot center dot center dot O-w distance to the water molecules hydrogen binding to selenite oxygens is 3.87(2) angstrom, and it is 4.36(8) angstrom to those clustered outside the lone electron-pair. The selenate ion has a symmetric hydration shell with only one Se center dot center dot center dot O-w distance, 3.94(2) angstrom. The mean Se-O center dot center dot center dot O-w angle in the hydrated selenite ion is 114.5, and the large temperature factor of the Se. Ow distance strongly indicates equilibrium between two and three water molecules hydrogen bound to the selenite oxygens. The mean Se- O. Ow angle in the hydrated selenate ion is 120 which strongly indicates that two water molecules hydrogen bind to the selenate oxygens. The DDIR spectra show peaks for the affected water bound to the selenite and selenate ions at 2491 +/- 2 and 2480 +/- 39 cm(-1), respectively, compared to 2509 cm(-1) in pure water. This shows that the selenite and selenate ions shall be regarded as weak structure makers.

Authors/Creators:Eklund, Lars and Persson, Ingmar
Title:Structure and hydrogen bonding of the hydrated selenite and selenate ions in aqueous solution
Series/Journal:Dalton Transactions: an international journal of inorganic chemistry [incorporating Acta Chemica Scandinavica] (1477-9226)
Year of publishing :22 January 2014
Volume:43
Number:17
Page range:6315-6321
Number of Pages:7
Publisher:Royal Society of Chemistry
ISSN:1477-9226
Language:English
Publication Type:Journal article
Refereed:Yes
Article category:Scientific peer reviewed
Version:Accepted version
Full Text Status:Public
Subjects:(A) Swedish standard research categories 2011 > 1 Natural sciences > 104 Chemical Sciences > Inorganic Chemistry
Keywords:inorganic chemistry, selenites, selenate ions
URN:NBN:urn:nbn:se:slu:epsilon-e-2218
Permanent URL:
http://urn.kb.se/resolve?urn=urn:nbn:se:slu:epsilon-e-2218
Additional ID:
Type of IDID
Web of Science (WoS)000333580600008
DOI10.1039/c3dt53468e
ID Code:11540
Faculty:NJ - Fakulteten för naturresurser och jordbruksvetenskap
Department:(NL, NJ) > Department of Chemistry and Biotechnology (140101-161231)
Deposited By: SLUpub Connector
Deposited On:17 Nov 2014 10:47
Metadata Last Modified:22 Jan 2015 00:15

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