Publications by authors named "V M Yanybin"
Article Synopsis
- The study investigated 1-Hexene transformations using various catalytic systems with Zr-based compounds and MMAO-12 as an activator in chlorinated solvents.
- Optimal conditions were found with [CpZrH]-MMAO-12 and related systems in CHCl, achieving high activity and selectivity for vinylidene dimer formation.
- NMR spectroscopy revealed Zr,Zr-hydride clusters as crucial intermediates, and their structures were further analyzed using quantum chemical methods (DFT).
The (1)H and (13)C NMR chemical shifts of spiro-cycloalkylidene[60]fullerenes were assigned using experimental NMR data and the Density Functional Theory (DFT)-Gauge Independence Of Atomic Orbitals method (GAIO) calculation method in the Perdew Burke Ernzerhof (PBE)/3z approach. The calculated values of the (13)C NMR chemical shifts adequately reproduce the experimental values at this quantum chemistry approach. Similar assignments will be helpful for (13)C NMR spectral analysis of homo- and methano[60]fullerene derivatives for structure elucidation and to determine the influence of fullerene frames on substituents and the influence of substituents on fullerene cores.
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