M. Trætteberg, P. Bakken, H. Hopf
Oct 12, 1999
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0
Influential Citations
16
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The molecular structure and conformations of 1-pentyne have been studied experimentally by the gas electron diffraction method. A conformational mixture of 68.6% gauche and 31.4% anti , with standard deviation equal to 4.5%, was observed. Results from ab initio MP2/6-31G ∗ optimization calculations are in excellent agreement with those observed.