Takao Iijima, Ryu-Ichiro Wada
1990
Citations
0
Influential Citations
9
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The zero-point average structure of 1,1,1-trichloroethane has been determined by a joint use of the results of gas-phase electron diffraction (ED) and the moments of inertia taken from microwave (MW) literature. The determined parameters with the limits of error in parentheses are: r z (CCl) = 1.771 (4) A, r z (CC) = 1.53 5 (1 5 ) A and θ z (CCCl) = 110.5(3)°. Even by the joint analysis the CH distance and CCH angle remain undertermined and the uncertainty of the CC distance is still as large as ±0.01 5 A. It has been shown that the ED and the MW results would be more consistent with each other if the possible anharmonicity in the CCCl bending were taken into consideration.