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Compare Experimental Geometries - experimental data

Species Name
C3H5+ Allyl cation
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCC 1.428 1986Vaj/Tre:4352   1 3   
rCH 1.069 1986Vaj/Tre:4352 mean of all CH bonds 1 2   
aCCC 124.6 1986Vaj/Tre:4352   3 1 4  
aHCC 120.9 1986Vaj/Tre:4352 middle C - C - H 1 3 5  
aHCC 117.7 1986Vaj/Tre:4352 by symmetry 2 1 3  

picture of
1986Vaj/Tre:4352 Vajda, E., Tremmel, J., Rozsondai, B., Hargittai, I., Maltsev, A. K., Kagramanov, N. D., Nefedov, O. M., Molecular Structure of Allyl Radical from Electron Diffraction, J. Am. Chem. Soc. 108 4352-4353