19964-11-5Relevant articles and documents
Specker, H.,Jackwerth, E.
, p. 416 - 423 (1959)
Electronic Spectra and Geometries of HgX3- in Water and an Assessment of various Computing Procedures for revealing Hidden Spectra
Griffiths, Trevor R.,Anderson, Richard A.
, p. 1425 - 1435 (2007/10/02)
The electronic absorption spectra, in the visible and ultraviolet regions, of HgX3- (X = Cl, Br or I) have for the first time been obtained, by computer techniques, free from any contributions of HgX2 or HgX42-.Four different independent methods are described and evaluated for this system and for general use.For systems where the desired spectrum is completely hidden below other bands, here for HgBr3- and HgCl3-, a combination of two methods is needed.Additional tests to validate the computed spectra are described and advised.The spectra of HgX3- were resol ved into their component Gaussian bands and the transitions identified and assigned.This permitted the identification of HgCl3- as planar with D3h symmetry and HgI3- as pyramidal, with C3v symmetry, suggesting that the solvated species are trigonal-bipyramidal and tetrahedral, respectively.The spectrum of HgBr3- appears to show features of both symmetries, but it is closer to pyramidal geometry.
