Abstract:
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 50kcalmol−1.
Citation:
A. A. Markov, I. A. Yakushev, A. V. Churakov, V. N. Khrustalev, N. V. Cherkashina, I. P. Stolarov, A. E. Gekhman, M. N. Vargaftik, “Structure and quantum chemical study of crystalline platinum(II) acetate”, Mendeleev Commun., 29:5 (2019), 489–491
Linking options:
https://www.mathnet.ru/eng/mendc1566
https://www.mathnet.ru/eng/mendc/v29/i5/p489
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