DSpace at IIT Bombay >
IITB Publications >
Please use this identifier to cite or link to this item:
|Title: ||Ligand effect on the periodic properties of trivalent organolanthanide complexes: a density functional study|
|Authors: ||LUO, Y|
|Keywords: ||axial ligand|
|Issue Date: ||2004|
|Publisher: ||ELSEVIER SCIENCE BV|
|Citation: ||INORGANIC CHEMISTRY COMMUNICATIONS, 7(4), 566-568|
|Abstract: ||For the first time, density functional calculations on a series of organolanthanides of the type Cp(3)Ln, Cp(2)LnCl, Cp(2)LnCl(THF) and CpLnCl(2) (Ln = La, Ce, Eu, Gd, Yb and Lu; Cp = cyclopentadienyl, C5H5; THF = tetrahydrofuran, OC4H8), which showed a periodic trend and the influence of ligands on the molecular properties for a set of tailored lanthanide complexes. The replacement of the ligands by another alters the bond lengths and has irregular trends along the lanthanide series. The increase in the (Hirshfeld) charges on going from La to Lu indicates an increase in ionic character, which is in line with the chemical hardness and softness concept while Mulliken charges failed to describe the same. (C) 2004|
|Appears in Collections:||Article|
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.