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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) 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 |
Species | Name |
---|---|
C4H8 | cyclobutane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.555 | 1998Kuc | 1 | 3 | |||
rCH | 1.093 | 1998Kuc | axial H | 1 | 5 | ||
rCH | 1.091 | 1998Kuc | equatorial H | 1 | 6 | ||
aHCC | 119.9 | 1998Kuc | axial | 1 | 3 | 10 | |
aHCC | 130.7 | 1998Kuc | equatorial | 1 | 3 | 9 | |
dCCCC | 27.5 | 1987Ega/Fuk:6018 | 1 | 3 | 2 | 4 |
squib | reference |
---|---|
1987Ega/Fuk:6018 | T Egawa, T Fukuyama, S Yamamoto, F Tkabayashi, H Kambara, T Ueda, K Kuchitsu "Molecular structure and puckering potential function of cyclobutane studied by gas electron diffraction and infrared spectroscopy" J. Chem. Phys. 86(11), 6018, 1987 |
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |