The bond properties and electronic structure of uronium sulfate [CO(NH2)(2)H](2)SO4

Authors
Xiao, SX Chen, TL Li, P
Citation
Sx. Xiao et al., The bond properties and electronic structure of uronium sulfate [CO(NH2)(2)H](2)SO4, J MOL ST-TH, 536(1), 2001, pp. 83-86
Citations number
9
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
536
Issue
1
Year of publication
2001
Pages
83 - 86
Database
ISI
SICI code
0166-1280(20010202)536:1<83:TBPAES>2.0.ZU;2-3
Abstract
A recent crystallographic report on uronium sulfate made studies of its ele ctronic structure possible. The properties of the UV spectrum and photoelec tron spectroscopy reveal a novel chemical bonding in this compound. The mec hanism of formation, based on the combination of the proton of sulfuric aci d with the carbonyl group of the urea molecule, has been established. An io nic bond, coordination bond. conjugate bond, covalent bond, and hydrogen bo nd are all present in this small molecule. An analysis of its electronic st ructure and properties is proved to be significant. (C) 2001 Elsevier Scien ce B.V. All rights reserved.