The molecular structure and pseudorotational motion of trans-1,2-dimethylcyclopentane as determined by gas-phase electron diffraction

Add time:08/05/2019    Source:sciencedirect.com

The molecular structure and conformational composition of trans-1,2-dimethylcyclopentane have been studied at nozzle temperatures of 298 K and 448 K by gas-phase electron diffraction. The molecule is found to be pseudorotating with a flat minimum at the diequatorial form. The enthalpy difference between the diaxial and the diequatorial forms is found to be about 1.9 kcal mol−1. Least squares analysis of the pseudorotational model results in the following bond distances (rg) and valence angles (∠α): r(CH) = 1.099(6) Å, r(CC) = 1.540(2) Å, ∠CCC=115(1)°, ∠CCH = 114(1)°, ∠CCmH = 108(2)° and q = 0.33(3) Å.

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