Chlorination of C60 with SbCl5, ICl, or ICl3 at 220–250 °C gives the highly chlorinated fullerene C60Cl30. The carbon cage C60Cl30 molecule has a unique cylindrical shape (see picture), composed two aromatic six-membered rings located opposite each other and one equatorial 18π trannulene belt. DFT calculations suggest that is final product [60]fullerene chlorination.

The high-yield synthesis of Dy3N@C80 (I) opens the possibility characterizing its molecular and vibrational structures. We report on structure determination by X-ray crystallographic study single crystal Dy3N@C80·Ni(OEP)·2C6H6, revealing a nearly planar Dy3N cluster encapsulated in an Ih-C80 cage. is studied Fourier transform infrared (FTIR) Raman spectroscopy combination with force-field calculations. A correlation was found between antisymmetric metal-nitrogen stretching vibration M3N...

Chemical functionalization can be used to tune optoelectronic properties of indigoids, their stability and semiconductor performance in OFETs.

We report a general synthetic approach to the preparation of highly functionalized amine and amino acid derivatives [60]fullerene starting from readily available chlorofullerene C60Cl6. The synthesized water-soluble derivative C60 demonstrated pronounced antiviral activity, while cationic amine-based compound showed strong antibacterial action in vitro.

Zig-zag nanographenes are promising candidates for the applications in organic electronics due to electronic properties induced by their periphery. However, synthetic access these compounds remains virtually unexplored. There is a lack efficient and mild strategies origins reduced stability, increased reactivity, low solubility of compounds. Herein we report facile pristine zig-zag nanographenes, utilizing an acid-promoted intramolecular reductive cyclization arylaldehydes, demonstrate...

Abstract A series of new mixed‐ligand lanthanide complexes [Ln(hfa) 3 (4‐cpyNO)] 2 (Ln = Sm III –Ho and Tm ; hfa – hexafluoroacetylacetonate; 4‐cpyNO 4‐cyanopyridine N ‐oxide) have been synthesised by treating the corresponding hexafluoroacetylacetonates with (molar ratio 1:1) in chloroform. Single‐crystal X‐ray analysis revealed that [Tb(hfa) [Ho(hfa) are isostructural comprised two types symmetrically independent dimetallic molecules. Within a dimer, eightfold‐coordinated metal atoms...

Spectacular skeletal rearrangement of the C76 fullerene cage was observed as a result chlorination D2-C76 to give C76Cl24 (see structure; gray C, green Cl, orange bonds highlight pentagons), which features significantly flattened carbon that violates isolated pentagon rule. This transformation is likely include seven single Stone–Wales rearrangements, are facilitated by cage. Detailed facts importance specialist readers published ”Supporting Information”. Such documents peer-reviewed, but...

Chlorofullerene C60Cl6 undergoes highly selective reactions with thiols forming compounds C60[SR]5H high yields. These open up straightforward synthetic routes to many functionalized fullerene derivatives, e.g. water-soluble showing interesting biological activities.

Classical fullerenes are built of pentagonal and hexagonal rings, the conventional syntheses produce only those isomers that obey isolated-pentagon rule (IPR), where all rings separated from each other by rings. Upon exohedral derivatization, IPR fullerene cages normally retain their connectivity pattern. However, it has been discovered high-temperature chlorination with SbCl5 or VCl4 can induce skeletal transformations alter carbon cage topology, as directly evidenced single crystal X-ray...

Fluoride can do it too! Sol–gels of metal fluorides play an important role in the formation high surface area fluorides. The synthesis amorphous via a recently discovered two-step synthetic route was investigated detail, exemplified for aluminium fluoride. first step is fluorination alkoxide with anhydrous HF organic solvents, which proceeds as sol–gel process known until now only oxide formation. reaction pathway illustrated including crystal structure determination intermediate resulting...

Unexpected selectivity: [60]Fullerene and CF3I react selectively at 440 °C to synthesize C60(CF3)12. In the product with S6 symmetry, 12 CF3 groups form a continuous loop of alternating para- meta-C6(CF3)2 hexagons. crystal, chains molecules are strengthened owing stacking interactions shielding effects from groups, thus accounting for low volatility solubility compound.

Perfluoroalkylation of a higher fullerene mixture with CF(3)I or C(2)F(5)I, followed by HPLC separation CF(3) and C(2)F(5) derivatives, resulted in the isolation several C(84)(R(F))(n) (n=12, 16) compounds. Single-crystal X-ray crystallography use synchrotron radiation allowed structure elucidation eight compounds containing six different C(84) cages (the number isomer is given parentheses): (23)(C(2)F(5))(12) (I), (22)(CF(3))(16) (II), (22)(C(2)F(5))(12) (III), (11)(C(2)F(5))(12) (IV),...

Halogenated fullerenes have been subjects of intensive investigations since the discovery fullerenes. This paper reviews synthesis and molecular structures fullerene halides, covering earlier work in this field progress synthetic methods developed last few years. The use inorganic chlorides oxychlorides as well (TiCl4 + Br2) mixtures for chlorination allowed preparation new compounds that characterized by single-crystal X-ray diffraction, IR spectroscopy, confirmed theoretical calculations....

Chlorination of the D(2)-C(76) fullerene under various conditions is studied in detail. It found that, addition to previously known C(76)Cl(18) and C(76)Cl(34), a number intermediate chlorides are formed, with all molecules falling into two structural types. The first type observed C(76)Cl(18)-C(76)Cl(28) range, whereas further chlorination provides C(76)Cl(30)-C(76)Cl(34) compounds second exhibiting major change motif. We also present detailed theoretical rationalization skeletal...

Abstract Chlorination of C 100 fullerene with a mixture VCl 4 and SbCl 5 afforded 96 Cl 20 strongly unconventional structure. In contrast to the classical fullerenes containing only hexagonal pentagonal rings, cage contains three heptagonal rings and, therefore, should be classified as nonclassical (NCC). There are several types pentagon fusions in including pairs triples. The three‐step pathway from isolated‐pentagon‐rule (IPR) (NCC‐3hp) includes two 2 losses, which create heptagons, one...

Abstract Three C 90 fractions were isolated by multi‐step HPLC from fullerene soot obtained direct current (DC) arc discharge of undoped graphite rods. each fraction was chlorinated with VCl 4 or SbCl 5 in ampoules at 290–310 °C, affording a series Cl n compounds. Single‐crystal X‐ray crystallography the use synchrotron radiation resulted structure elucidation seven compounds containing six different pentagon rule (IPR) cages (the number isomer is given parentheses): (46)Cl 32 ( I ), (34)Cl...

High temperature chlorination of HPLC fractions higher fullerenes followed by single crystal X-ray diffraction with the use synchrotron radiation resulted in structure determination IPR C106(1155)Cl24 and C108(1771)Cl12. is cocrystallized C104Cl24, a chloride nonclassical isomer C104. The moderately stable C106(1155) most C108(1771) represent so far largest pristine known cages.

We provide important novel insights into skeletal transformations of fullerene by reporting new cases cage shrinkage in the most abundant C60 via a C2 loss. High‐temperature (400–500 oC) chlorination IPR with SbCl5 or SbCl5/SbCl3 mixtures predominantly gives non‐IPR C60Cln compounds Stone‐Wales rearrangements, but present study further reveals non‐classical C58Cln chlorofullerenes as by‐products. The C58(NC1)Cl20 and C58(NC1)Cl24 chlorides have been isolated air‐free HPLC structurally...

Abstract A number of C 60 (CF 3 ) n compounds with = 2–10 have been synthesized by the reaction silver trifluoroacetate and successfully isolated means HPLC. This resulted in first crystal structure determination six lower trifluoromethyl derivatives 2 (single isomer), 4 (two isomers), 6 (three isomers). kinetic model sequential trifluoromethylation based on Bell–Evans–Polanyi principle has used to explain experimentally observed isomeric distribution mixtures up 6. (© Wiley‐VCH Verlag GmbH...

Perfluoroalkylation of a mixture higher fullerenes has yielded the first direct proof cage connectivities in C94 (isomer 61) and C96 145). The addition patterns RF groups on these fullerene cages, largest to be structurally investigated date, were determined by X-ray structure analyses C94(CF3)20 (see structure; gray C, green F) C96(C2F5)12.