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Quantum-chemical investigation of the mechanisms of reactions involving nucleophilic addition to acetylene. 4. Study of reactions in the acetylene-LIOH system

  • Physical Chemistry
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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    The predominant direction of the reaction of acetylene with a molecule of lithium hydroxide in both the dissociated and undissociated states is the formation of the molecular π complex C2H2· LiOH.

  2. 2.

    The formation of the complex C2H2· LiOH is accompanied by significant lowering of the energy levels of the vacant π orbitals of acetylene, which creates favorable conditions for nucleophilic attack on the triple bond.

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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 9, pp. 2056–2060, September, 1988.

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Dolgunicheva, O.Y., Dubnikova, F.S., Vitkovskaya, N.M. et al. Quantum-chemical investigation of the mechanisms of reactions involving nucleophilic addition to acetylene. 4. Study of reactions in the acetylene-LIOH system. Russ Chem Bull 37, 1841–1846 (1988). https://doi.org/10.1007/BF00962500

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  • DOI: https://doi.org/10.1007/BF00962500

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