Diastereotopic splitting in the 13C NMR spectra of sulfur homofullerenes and methanofullerenes with chiral fragments

被引：9

作者：

Tulyabaev, Arthur R. ^{[1
]}

Tuktarov, Airat R. ^{[1
]}

Khalilov, Leonard M. ^{[1
]}

机构：

[1] Inst Petrochem & Catalysis, Ufa 450075, Russia

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2014年 / 52卷 / 1-2期

关键词：

NMR; H-1; C-13; GIAO PBE/3 zeta; sulfur homofullerenes and methanofullerenes; diastereotopicity; CHEMICAL-SHIFT ASSIGNMENTS; FULLERENE CARBONS; GIAO; C-60; DERIVATIVES; NONEQUIVALENCE; CYCLOADDITION; SPECTROSCOPY; INADEQUATE; ASYMMETRY;

D O I：

10.1002/mrc.4027

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Using gauge-invariant atomic orbital PBE/3 quantum chemistry approach, C-13 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 C-13 NMR chemical shifts were performed, and diastereotopic splittings of methanofullerenes were observed for , and to a functionalization site. Copyright (c) 2013 John Wiley & Sons, Ltd.

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页码：3 / 9

页数：7

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