return to home page Computational Chemistry Comparison and Benchmark DataBase Release 19 (April 2018) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

Compare Experimental Geometries - experimental data

Species Name
HOCO+ Hydrocarboxyl 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
rOH 0.977 1988Bog/Dem:465   2 4   
rCO 1.209 1988Bog/Dem:465   1 2   
rCO 1.140 1988Bog/Dem:465   1 3   
aOCO 174.4 1988Bog/Dem:465   2 1 3  
aHOC 119.4 1988Bog/Dem:465   1 2 4  

picture of
References
squibreference
1988Bog/Dem:465 M Bogey, C Demuynck, JL Destombes A Krupnov "Molecular Structure of HOCO+" J. Molecular Structure 190 (1988) 465-474