Literature DB >> 15549921

Dipole-quadrupole and dipole-octopole polarizability of OsO4 from depolarized collision-induced light scattering experiments, ab initio and density functional theory calculations.

Uwe Hohm1, G Maroulis.   

Abstract

The dipole-quadrupole and dipole-octopole polarizability of osmium tetroxide (OsO(4)) has been determined from collision-induced light-scattering experiments. Our final estimates for these properties are |A|=(84+/-5)e(2)a(3)(0)E(-1)(h) and |E|=(214+/-25)e(2)a(4)(0)E(-1)(h). We have also analyzed previous experimental data of the relative permittivity and refractivity of OsO(4) to propose the electronic part of the static dipole polarizability of alpha=51.0e(2)a(2)(0)E(-1)(h). To support our findings we have performed high-level ab initio and density functional theory calculations to obtain theoretical static estimates alpha=(50.2+/-1.6)e(2)a(2)(0)E(-1)(h), A=(84+/-10)e(2)a(3)(0)E(-1)(h), and E=(-252+/-32)e(2)a(4)(0)E(-1)(h), in essential agreement with the proposed experimental values. (c) 2004 American Institute of Physics.

Entities:  

Year:  2004        PMID: 15549921     DOI: 10.1063/1.1809607

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank.

Authors:  Dennis M Elking; Lalith Perera; Robert Duke; Thomas Darden; Lee G Pedersen
Journal:  J Comput Chem       Date:  2011-08-31       Impact factor: 3.376

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.