Synthesis and structure of bis(para-methoxyphenyl)selenoxide and its monohydrate. theoretical considerations of the hydration of diorganoselenium oxides Beckmann, Jens and Duthie, Andrew 2005, Synthesis and structure of bis(para-methoxyphenyl)selenoxide and its monohydrate. theoretical considerations of the hydration of diorganoselenium oxides, Zeitschrift für anorganische und allgemeine Chemie, vol. 631, no. 10, pp. 1849-1855, doi: 10.1002/zaac.200500167. Attached Files Name Description MIMEType Size Downloads Title Synthesis and structure of bis(para-methoxyphenyl)selenoxide and its monohydrate. theoretical considerations of the hydration of diorganoselenium oxides Formatted title Synthesis and structure of bis(para-methoxyphenyl)selenoxide and its monohydrate. theoretical considerations of the hydration of diorganoselenium oxides Author(s) Beckmann, Jens Duthie, Andrew Journal name Zeitschrift für anorganische und allgemeine Chemie Volume number 631 Issue number 10 Start page 1849 End page 1855 Publisher Wiley - VCH Verlag GmbH & Co. KGaA Place of publication Weinheim, Germany Publication date 2005-07 ISSN 0044-2313 1521-3749 Keyword(s) selenium organometallic hydrogen bonds density functional calculations Summary The title compound was prepared by base hydrolysis of (p-MeOC6H4)2SeCl2 in water and isolated as the crystalline monohydrate, (p-MeOC6H4)2SeO·H2O, in which the water molecule is associated via hydrogen-bonding. Water-free (p-MeOC6H4)2SeO was obtained crystalline after drying and recrystallisation from toluene. Both crystal phases were investigated by single crystal X-ray diffraction. Preliminary DFT calculations at the B3LYP/LANL2DZdp level of theory suggest that the hydrogen bonded complexes R2SeO·H2O (R = H, Me, Ph) are by 2.79, 3.36 and 11.10 kcal mol-1 more stable than the corresponding elusive diorganoselenium dihydroxides R2Se(OH)2. The hydrogen bond energies of R2SeO·H2O (R = H, Me, Ph) are 5.98, 7.18 and 5.89 kcal mol-1. Language eng DOI 10.1002/zaac.200500167 Field of Research 039904 Organometallic Chemistry Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences HERDC Research category C1 Refereed article in a scholarly journal Copyright notice ©2005, Wiley - VCH Verlag Persistent URL http://hdl.handle.net/10536/DRO/DU:30003425 Document type: Journal Article Collections: Faculty of Science, Engineering and Built Environment School of Biological and Chemical Sciences Related Links Link Description Connect to published version (restricted access) Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Fri, 24 Oct 2008, 12:53:26 EST Thu, 04 Jun 2009, 10:20:17 EST Thu, 04 Jun 2009, 10:21:43 EST Tue, 14 Jan 2014, 08:23:44 EST Fri, 13 Jun 2014, 23:24:49 EST Fri, 17 Oct 2014, 08:23:59 EST Filtered Full Citation counts:   Cited 9 times in TR Web of Science Cited 9 times in Scopus Search Google Scholar Access Statistics: 585 Abstract Views, 1 File Downloads  -  Detailed Statistics Created: Mon, 07 Jul 2008, 08:52:49 EST