Structure and quantum chemical study of crystalline platinum(II) acetate

A. A. Markov,I. A. Yakushev,A. V. Churakov,Victor N. Khrustalev,N. V. Cherkashina,I. P. Stolarov,Alexander E. Gekhman,Michael N. Vargaftik

Structure and quantum chemical study of crystalline platinum(II) acetate

2019

A. A. Markov
I. A. Yakushev
A. V. Churakov
Victor N. Khrustalev
N. V. Cherkashina
I. P. Stolarov
Alexander E. Gekhman
Michael N. Vargaftik

Calculations by the hybrid functional PBE0 with scalar relativistic corrections and the QTAIM method revealed the metal-metal bonding in the molecule of platinum(II) acetate Pt4(μ-OAc)8, which stabilizes the molecule by 50 kcal mol−1.

Keywords:

Chemistry
Platinum(II) acetate
Platinum
Physical chemistry
Quantum
Inorganic chemistry
Hybrid functional
Crystal
Molecule
quantum chemical

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