Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations

Faeq A. Mohammed, Hamid I. Abbood

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Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations
( Vol-4,Issue-7,July 2017 )

Author(s):

Faeq A. Mohammed, Hamid I. Abbood

Keywords:

cis-platin, SDD basis sets, ionization energy, softness and electrophilic index.

Abstract:

Current work deals with the structural and electronic properties of the cis-platin by employing the B3LYP density functional theory with SDD basis sets at the Gaussian 09 package of programs. We showed a good relax was obtained for the cis-platin. The great contribution for constructing the molecular orbitals is due to the outer electrons in the platinum metal with few contributions from the p-orbitals of the ligands, cis-platin has insulating behavior. Also, the cis-platin has low electronic softness and it needs high excitation energy to electron transfer or to accepting an electron from the surrounding species.

DOI:

10.22161/ijaers.4.7.12

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