Quantum Theoretical Study on Single, Double and Triple Bonds between Carbon Atoms

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概要

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• We study the characteristic features of single, double and triple bonds between carbon atoms by idealizing the problem to the electronic structure of fictitious diatomic molecules 〓C-C〓, =C=C= and -C〓C-, where the "open" bonds of carbon atoms are represented by a suitably hybridized orbitals, associated with free spins. Thus, adiabatic potentials are non-empirically and numerically computed and bond energies and equilibrium internuclear distances are evaluated. We obtain 3.1e.v., 1.25e.v. and 0.20Å, 0.10Å for the values of relative bond energy differences and bond distance differences of single and triple, double and triple bonding. The corresponding experimental values are 2.9e.v., 1.0e.v., and 0.34Å, 0.12Å respectively.

• 社団法人日本物理学会の論文
• 1959-03-05

著者

• Nagahara Sigeru

  Department Of Physics Faculty Of Literature And Science Toyama University

関連論文

• The Scattering of Slow Electrons by the Diatomic Molecules II : Elastic Scattering by the Hydrogen Molecules
• Selective separation of structurally or electronically similar ethers with MAD.
• Quantum Theoretical Study on Single, Double and Triple Bonds between Carbon Atoms

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