Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
ClF3 | Chlorine trifluoride |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rFCl | 1.597 | 2001Muller:1570 | re structure | 1 | 2 | ||
rFCl | 1.597 | 2001Muller:1570 | re structure | 1 | 2 | ||
rFCl | 1.697 | 2001Muller:1570 | re structure | 1 | 3 | ||
rFCl | 1.697 | 2001Muller:1570 | re structure | 1 | 3 | ||
aFClF | 87.5 | 2001Muller:1570 | re structure | 2 | 1 | 3 | |
aFClF | 87.5 | 2001Muller:1570 | re structure | 2 | 1 | 3 | |
aFClF | 174.9 | 2001Muller:1570 | from symmetry assuming planar | 3 | 1 | 4 | |
aFClF | 174.9 | 2001Muller:1570 | from symmetry assuming planar | 3 | 1 | 4 |
squib | reference |
---|---|
2001Muller:1570 | HSP Muller "The rotational spectrum of chlorine trifluoride, ClF3. Centrifugal distortion analysis, Cl nucklear magnetic shielding tensor, structure, and the harmonic force field" Phys. Chem. Chem. Phys. 2001, 3 1570-1575 |