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Crystal structure of the 4 + 2 cyclo-adduct of photooxidized anthracene and C60 fullerene.

Bortel G, Kováts E, Oszlányi G, Pekker S - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: It has a unique eight-membered ring, with two incorporated O atoms in place of the original central ring of the anthracene.The distortion of the mol-ecular geometry around the cyclo-adduct bonds corresponds to that seen in related fullerene derivatives.Reaction steps are described as light-assisted singlet-oxygen generation, peroxide, epoxide and dioxocin derivative formation and the final step of thermally activated cyclo-addition.

View Article: PubMed Central - HTML - PubMed

Affiliation: Wigner Research Centre for Physics of the Hungarian Academy of Sciences, POB 49, Budapest, H-1525, Hungary.

ABSTRACT
The structure of the title compound, 5,6-[(1R,10S)-2,9-dioxatri-cyclo-[8.6.0(3,8).0(11,16)]hexa-decane-1,10-di-yl]-(C60-Ih)[5,6]fullerene methane-dithione 0.1-solvate, C74H10O2·0.1CS2, has tetra-gonal (P42/n) symmetry at 100 K. It has a unique eight-membered ring, with two incorporated O atoms in place of the original central ring of the anthracene. The distortion of the mol-ecular geometry around the cyclo-adduct bonds corresponds to that seen in related fullerene derivatives. Close packing of the adduct forms cavities partially filled with disordered carbon di-sulfide solvent mol-ecule. The 41% occupancy of the cavities yields an overall 1:0.103 adduct-solvent ratio. Reaction steps are described as light-assisted singlet-oxygen generation, peroxide, epoxide and dioxocin derivative formation and the final step of thermally activated cyclo-addition.

No MeSH data available.


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Refined bond angles of the bonding carbon and oxygen atoms.
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fig3: Refined bond angles of the bonding carbon and oxygen atoms.

Mentions: The adduct, shows a unique eight-membered ring with two incorporated O atoms. A displacement ellipsoid plot is shown in Fig. 1 ▶. The bond lengths and angles around the strongly distorted bonding region are shown in Figs. 2 ▶ and 3 ▶.


Crystal structure of the 4 + 2 cyclo-adduct of photooxidized anthracene and C60 fullerene.

Bortel G, Kováts E, Oszlányi G, Pekker S - Acta Crystallogr Sect E Struct Rep Online (2014)

Refined bond angles of the bonding carbon and oxygen atoms.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257265&req=5

fig3: Refined bond angles of the bonding carbon and oxygen atoms.
Mentions: The adduct, shows a unique eight-membered ring with two incorporated O atoms. A displacement ellipsoid plot is shown in Fig. 1 ▶. The bond lengths and angles around the strongly distorted bonding region are shown in Figs. 2 ▶ and 3 ▶.

Bottom Line: It has a unique eight-membered ring, with two incorporated O atoms in place of the original central ring of the anthracene.The distortion of the mol-ecular geometry around the cyclo-adduct bonds corresponds to that seen in related fullerene derivatives.Reaction steps are described as light-assisted singlet-oxygen generation, peroxide, epoxide and dioxocin derivative formation and the final step of thermally activated cyclo-addition.

View Article: PubMed Central - HTML - PubMed

Affiliation: Wigner Research Centre for Physics of the Hungarian Academy of Sciences, POB 49, Budapest, H-1525, Hungary.

ABSTRACT
The structure of the title compound, 5,6-[(1R,10S)-2,9-dioxatri-cyclo-[8.6.0(3,8).0(11,16)]hexa-decane-1,10-di-yl]-(C60-Ih)[5,6]fullerene methane-dithione 0.1-solvate, C74H10O2·0.1CS2, has tetra-gonal (P42/n) symmetry at 100 K. It has a unique eight-membered ring, with two incorporated O atoms in place of the original central ring of the anthracene. The distortion of the mol-ecular geometry around the cyclo-adduct bonds corresponds to that seen in related fullerene derivatives. Close packing of the adduct forms cavities partially filled with disordered carbon di-sulfide solvent mol-ecule. The 41% occupancy of the cavities yields an overall 1:0.103 adduct-solvent ratio. Reaction steps are described as light-assisted singlet-oxygen generation, peroxide, epoxide and dioxocin derivative formation and the final step of thermally activated cyclo-addition.

No MeSH data available.


Related in: MedlinePlus