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310:. It was shown that hypercubane lifetime at room temperature tended to infinity. Therefore, it can be assumed that hypercubane is a kinetically stable molecular system. Among the possible hypercubane decomposition products at high temperatures (more than 1000 K) one can observe polycyclic airscrew-like hydrocarbon C
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by removing unnecessary hydrogen atoms and adding the ethylene bridges as well as intercarbon bonds between the sp and sp atoms. To facilitate the future hypercubane spectroscopic identification chemical shifts for both C and H NMR-active nuclei have been calculated by
Pichierri. Two years later, in
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InChI=1S/C40H24/c1-2-26-7-9-29-15-11-27-5-3-25(1)4-6-28-12-16-30(10-8-26)20-23-32(22-19-29)24-21-31(17-13-27,18-14-28)39-35(27)33(25)34(26)37(29,35)40(32,39)38(30,34)36(28,33)39/h1-24H
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C/1=C/C\28/C=C\C\39\C=C/C\46/C=C\C17/C=C\C/5%15\C=C/C%13(/C=C2)\C=C/C%11(/C=C3)\C=C/C(/C=C4)(\C=C5)C%12%17C6%10C7%16C8%14C9%10C%11%12C%13%14C%15%16%17
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Maslov, Mikhail M.; Katin, Konstantin P. (2016). "High kinetic stability of hypercubane: Tight-binding molecular dynamics study".
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simulations, Maslov and Katin demonstrated that hypercubane possessed high thermal stability comparable with the classic cubane C
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based on three combined graphene fragments passivated by hydrogen atoms and three isolated acetylene molecules.
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To date, there has been no method describing the synthesis of hypercubane.
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2016, studying the pyrolysis of hypercubane by means of tight-binding
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is a hypothetical polycyclic hydrocarbon with the chemical formula C
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Except where otherwise noted, data are given for materials in their
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Pichierri, Fabio (2014). "Hypercubane: DFT-based prediction of an
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Hypercubane was first proposed in 2014 by
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423:: 280–283.
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