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ChemInform Abstract: Calculated Structure and Optical Properties of Tl2Pt(CN)4.

โœ Scribed by M. DOLG; P. PYYKKOE; N. RUNEBERG


Publisher
John Wiley and Sons
Year
2010
Weight
28 KB
Volume
28
Category
Article
ISSN
0931-7597

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โœฆ Synopsis


Calculated Structure and Optical Properties of Tl2Pt(CN)4.

-Calculations of bond-lengths and symmetric Tl-Pt stretching force constants show that the correlation-induced metallophilic attraction in the Pt(II)-Tl(I), d8-s2 case is very important; however, it is over compensated by crystal field effects. The singlet-singlet ACPF excitation energies for the a1g โ†’ a2u transition and the corresponding spin-forbidden singlet-triplet ACPF transitions, are calculated for the experimental geometry. -(DOLG, M.; PYYKKOE, P.;


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