Polarity of the C–H Bonds in Acetylene and Its Molecular Quadrupole Moment
- 1 May 1961
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 34 (5) , 1678-1683
- https://doi.org/10.1063/1.1701064
Abstract
By using the molecular quadrupole moment data of acetylene, the polarity and the dipole moment of the CH bonds have been investigated. The semiempirical LCBO MO method was applied to this problem. The results obtained show that the CH bonds in this molecule are almost homopolar, but hydrogen is slightly positive in polarity. From this, the so‐called bond moment and the infrared bond moment have been discussed. The sign of the molecular quadrupole moment of acetylene which cannot be given by the experimental data was determined as positive in the present work.Keywords
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