The Solitary Isomer of C60H18 Is Proven to Have a C3v Crown Shape: Crystal Structure Determination and Synthesis of Its Triruthenium Cluster Complex |
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Authors: | Dr Chi‐Shian Chen Tsung‐Han Chuang Yi‐Hung Liu Dr Wen‐Yann Yeh |
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Institution: | 1. Department of Chemistry, National Sun Yat‐Sen University, Kaohsiung 804 (Taiwan);2. Instrumentation Center, National Taiwan University, Taipei 106 (Taiwan) |
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Abstract: | Analytically pure C60H18 is obtained by a Ru3 cluster complexation and decomplexation method. The crystal structure of C60H18 consists of one flattened hemisphere, to which all 18 hydrogen atoms are symmetrically bonded, and one curved hemisphere akin to C60. A benzenoid ring in the flattened hemisphere is isolated from the residual π systems by a belt composed of sp3‐hybridized CH units. The average out‐of‐plane distances for carbon atoms attached to the benzenoid ring (0.14 Å) is substantially larger than that found in C60F18 (0.06 Å). Several long C(sp3)?C(sp3) single bond lengths 1.61(3)–1.65(3) Å] are observed for C60H18. The reaction of Ru3(CO)12] and C60H18 produces Ru3(CO)9(μ3‐η2,η2,η2‐C60H18)] ( 1 ), where the Ru3 triangle is regiospecifically linked to the hexagon opposite to the benzenoid ring. Compound 1 is the first transition metal complex of a polyhydrofullerene (fullerane). C60H18 and 1 have been characterized by 1H and 13C NMR, UV/Vis, and mass spectroscopies. The HOMO–LUMO gap of C60H18 is evaluated to be 1.51 V by cyclic voltammetry. |
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Keywords: | cluster compounds fullerenes hydrogen transfer ruthenium structure elucidation |
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