Department of Chemistry, SUNY College at Oneonta, Oneonta, New York 13820 U.S.A.;Department of Chemistry, The University of Kansas, Lawrence, Kansas 66045 U.S.A.
Abstract:
The molecular structure of norbornene has been investigated in the gas phase by combining electron diffraction data with microwave spectroscopic rotational constants. The interatomic distances (rg) and bond angles were obtained by applying a least squares program to the refined experimental molecular diffraction intensities. The CC bond length was found to be 1.336 ± 0.002 Å while the ) bond length was 1. 529 ± 0.007 Å. Other bond lengths and angles included (IUPAC numbering system was used for norbornene): C1-C6 = 1.550 ± 0.020 Å, C1-C7 = 1.566± 0.005 Å, C5-C6 = 1.556 ± 0.005 Å, C-Have. = 1.103 ± 0.003 Å, ∠C1C2C4 = 95.3°. The dihedral angle between planes C1C2C3C4 and C1C6C5C4 is 110.8 ± 1.5° while that between C1C2C3C4 and C1C7C4 is 122.3°. The moments of inertia calculated from ED structure are in good agreement with microwave spectroscopic values.
