Experimental and theoretical determination of the dipole-quadrupole and dipole-octopole polarizabilities of the group IV tetrachlorides TiCl4, ZrCl4, and HfCl4.
The dipole-quadrupole and dipole-octopole polarizabilities A and E of TiCl4, ZrCl4, and HfCl4 have been determined from collision-induced light-scattering experiments. Our respective experimental results for /A/ are (165+/-10), (110+/-30), and (140+/-20) e2a0 3Eh (-1), whereas /E/ is determined to be (675+/-125), (750+/-200), and (670+/-400) e2a0 4Eh (-1). Theory predicts values convincingly close to experiment, as A=(181.4+/-9.1), (167.6+/-8.4), and (139.8+/-7.0) e2a0 3Eh (-1), and E=(-671+/-67), (-688+/-69), and (-574+/-57) e2a0 4Eh (-1). In addition our quantum chemical ab initio calculations give reliable values for the dipole polarizability alpha, as well as for the octopole and hexadecapole moments Omega and Phi for all three substances.
Hohm
Uwe
U
Institut für Physikalische und Theoretische Chemie der Technischen Universität Braunschweig, Hans-Sommer-Strasse 10, D-38106 Braunschweig, Germany. u.hohm@tu-bs.de
Maroulis
G
G