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 |
---|---|
SOCl2 | thionyl chloride |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rSO | 1.443 | 1976Hellwege(II/7) | ED, ra | 1 | 2 | ||
rSCl | 2.076 | 1976Hellwege(II/7) | 1 | 3 | |||
aClSCl | 96.1 | 1976Hellwege(II/7) | 3 | 1 | 4 | ||
aOSCl | 106.3 | 1976Hellwege(II/7) | 2 | 1 | 3 |
squib | reference |
---|---|
1976Hellwege(II/7) | Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976. |