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Sadykov R.A.,Institute of Petrochemistry and Catalysis | Safina G.D.,Bashkir State University | Teregulov I.Kh.,RAS Institute of Organic Chemistry | Paramonov E.A.,Institute of Petrochemistry and Catalysis
Kinetics and Catalysis | Year: 2010

Integral effects of chemically induced 1H and 13C nuclear polarization are reported for the reaction of Et3Al with CCl4 catalyzed by Pd(acac)2, Cu(acac)2, and Cp2TiCl2; for the reaction of (n-C8H 17)3Al with CCl4 in the absence of a catalyst and in the presence of Ni(acac)2; and for the reaction of the cyclic organoaluminum compound 1-ethyl-3-butylaluminacyclopentane with CCl4 in the presence of Pd(acac)2. A scheme of the catalytic cycle of this reaction predicting the formation of both radical and nonradical products is derived from the observed chemically induced dynamic nuclear polarization (CIDNP) effects and from data on the products of the reaction between Et 3Al and CCl4 in the presence of Pd(acac)2. According to the results of qualitative analysis of the CIDNP effects, the reactions of the trialkylalanes and the cyclic organoaluminum compound with CCl4 in the presence of various metal complexes proceeded via similar mechanisms. © 2010 Pleiades Publishing, Ltd.


Tulyabaev A.R.,Institute of Petrochemistry and Catalysis | Tuktarov A.R.,Institute of Petrochemistry and Catalysis | Khalilov L.M.,Institute of Petrochemistry and Catalysis
Magnetic Resonance in Chemistry | Year: 2014

Using gauge-invariant atomic orbital PBE/3 quantum chemistry approach, 13C NMR chemical shifts and diastereotopic splittings of sp 2 fullerenyl carbons of a number of sulfur homofullerenes and methanofullerenes have been predicted and discussed. An anisochrony of fullerene carbons is caused by a chiral center of attached moieties. Clearly distinguishable diastereotopic pairs (from 8 to 11) of fullerenyl carbons of homofullerenes were observed. Unambiguous assignments of 13C NMR chemical shifts were performed, and diastereotopic splittings of methanofullerenes were observed for α, β and γ to a functionalization site. © 2013 John Wiley & Sons, Ltd.


PubMed | Institute of Petrochemistry and Catalysis
Type: Journal Article | Journal: Magnetic resonance in chemistry : MRC | Year: 2013

Using gauge-invariant atomic orbital PBE/3 quantum chemistry approach, (13)C NMR chemical shifts and diastereotopic splittings of sp(2) fullerenyl carbons of a number of sulfur homofullerenes and methanofullerenes have been predicted and discussed. An anisochrony of fullerene carbons is caused by a chiral center of attached moieties. Clearly distinguishable diastereotopic pairs (from 8 to 11) of fullerenyl carbons of homofullerenes were observed. Unambiguous assignments of (13)C NMR chemical shifts were performed, and diastereotopic splittings of methanofullerenes were observed for , and to a functionalization site.

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