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High-temperature chlorination of C76 fullerene with SbCl5 proceeds via five Stone–Wales rearrangements, resulting in non-classical (NC) C76(NC1a)Cl24 with two heptagons and 14 pentagons partically fused in pairs and triples. C76(NC2b)Cl28 with isomeric carbon cage was obtained by chlorination-promoted cage shrinkage of C80via two C2 losses. The pathways of skeletal cage trasformations, the chlorination patterns, and formation energies are discussed in detail. [ABSTRACT FROM AUTHOR]

High-temperature chlorination of C76 fullerene with SbCl5 proceeds via five Stone–Wales rearrangements, resulting in non-classical (NC) C76(NC1a)Cl24 with two heptagons and 14 pentagons partically fused in pairs and triples. C76(NC2b)Cl28 with isomeric carbon cage was obtained by chlorination-promoted cage shrinkage of C80via two C2 losses. The pathways of skeletal cage trasformations, the chlorination patterns, and formation energies are discussed in detail. [ABSTRACT FROM AUTHOR]

Tin(II) can form stable M–Sn bonds yielding coordination complexes with transition metal fragments (M). Coordination complexes of tin and indium porphyrins have mainly been developed to date. We have found that such complexes can be obtained with tin phthalocyanines and naphthalocyanines as well. Moreover, such complexes can be obtained not only with neutral metallomacrocycles but also with their radical anions and dianions. As a result, the range of complexes of such type can be extended by varying macrocycles and their charge state as well as by using different transition metal fragments and clusters. During our work, several papers concerning this field of research have been published but some complexes still remain unpublished. To provide a more refined general view, we also present new complexes obtained in our group. In this review, we discuss different aspects of coordination chemistry of tin(II) macrocycles such as molecular design and synthesis of these compounds, their crystal and molecular structures, properties and the effect of coordination and reduction on the structure and properties. Possible applications of such compounds are discussed. 29 compounds are considered here among which 13 compounds are reported for the first time. [ABSTRACT FROM AUTHOR]

Low-chlorinated fullerenes, dimeric (C60Cl5)2 and one-dimensional, polymeric (C60Cl4)∞, were obtained by high-temperature (270 °C) chlorination of C60 with a SbCl5/SbCl3 mixture, as revealed by X-ray crystallography. The compounds were characterized by IR and Raman spectroscopy and theoretical calculations. This is the first observation of a fullerene polymer with single C−C bonding and neutral building blocks. [ABSTRACT FROM AUTHOR]

C84 is the most abundant higher fullerene which is present in the arc‐discharge fullerene soot. Among 24 topologically possible IPR isomers of C84, two major isomers, C84(22) and C84(23), and several minor ones have been identified experimentally. We report the synthesis, isolation, and structure elucidation of trifluoromethyl derivatives of the most abundant minor isomer of C84, C84(11)(CF3)14,16,18. The experimentally determined addition patterns of altogether eight new compounds, four C84(11)(CF3)14, three C84(11)(CF3)16, and one C84(11)(CF3)18, are discussed in terms of the attachments in ribbons of para C6(CF3)2 hexagons and formation of stabilizing substructures of local aromaticity on the C2−C84(11) carbon cage. The general principles of multi addition of bulky CF3 groups are considered which are based on theoretical DFT calculations of formation energies of C84(11)(CF3)n isomers. Thus, trifluoromethylation pathways are now discussed in details for five different isomers of C84. [ABSTRACT FROM AUTHOR]

High-temperature (440 °C) chlorination of C70 with SbCl5 promotes Stone–Wales transformations and loss of the C2 fragment, which results in a non-classical C68Cl28 partially hydrolyzed to C68Cl26(OH)2 and C68Cl25(OH)3. X-ray diffraction reveals an unprecedented C68 cage with three heptagons and 15 pentagons arranged in fused pairs and triples. The shortest possible transformation pathways include one C2 loss step and four Stone–Wales transformation steps. [ABSTRACT FROM AUTHOR]

C84 is the most abundant higher fullerene which is present in the arc‐discharge fullerene soot. Among 24 topologically possible Isolated‐Pentagon Rule isomers of C84, two major isomers, C84(22) and C84(23), and several minor ones have been identified experimentally. We report the synthesis, HPLC isolation, and synchrotron X‐ray structure elucidation of trifluoromethyl derivatives of the most abundant minor isomer of C84, C84(11)(CF3)10,12,14. The experimentally determined addition patterns are discussed in terms of the attachments in ribbons of edge‐sharing para C6(CF3)2 hexagons and the uniform distribution of CF3 groups on the C2‐C84(11) carbon cage. A general scheme of C84(11) trifluoromethylation pathways was proposed on the basis of theoretical DFT calculations of formation energies. Thus, trifluoromethylation pathways are now discussed in details for five different isomers of C84. [ABSTRACT FROM AUTHOR]

A detailed spectroscopic characterization of [D.sub.3d]-[C.sub.60][Cl.sub.30], a chlorofullerene with a [18]trannulene ring and its relation to other [18]trannulenes is presented. All [18]trannulenes have dipole-forbidden lowest excited state which can be detected in the [C.sub.60][Cl.sub.30] in the absorption and emission spectra.