AN AB INITIO AND RAMAN INVESTIGATION OF NI(II) COMPLEXES

摘要：

In the Generation IV Supercritical Water Reactor, impurities such as chloride ion may formmetal-ligand complexes with corrosion products, such as nickel(II) ion, resulting from theoxidation of materials used in its construction. Isotropic Raman spectra were measured foraqueous nickel chloride solutions over a very wide range of concentrations at temperaturesfrom 5 to 150 oC, as a first step towards evaluating and modelling transition metal chemistryin Generation IV Supercritical Water-Cooled nuclear reactors. A series of ab initiocalculations of aquanickel(II) and chloroaquanickel(II) have been performed at HF and MP2levels with the 6-31G* basis set.

作者: C.C.Pye L.Cheng J.P.Ferguson K.Bissonette L.Applegarth J.Cox P.R.Tremaine

作者单位: Department of Chemistry,Saint Marys University,Halifax,Nova Scotia,Canada Department of Chemistry,University of Guelph,Guelph,Ontario,Canada

会议类型: 国际会议

会议名称: 3rd China-Canada Joint Workshop on Supercritical Water-Cooled Reactors(第三届中国-加拿大超临界水堆研讨会 (CCSC-2012)

会议地点: 西安

会议语种:英文

页码: 1-10

在线出版日期: 2012-04-18（万方平台首次上网日期，不代表论文的发表时间）