Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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A | B | C |
---|---|---|
0.47149 | 0.08585 | 0.07447 |
Description | Value | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
rSiH | 1.480 | 1 | 2 | JANAF | +-0.015 | ||
rSiCl | 2.033 | 1 | 4 | JANAF | +-0.003 | ||
aHSiH | 111.3 | 2 | 1 | 3 | JANAF | +-0.7 | |
aClSiCl | 109.72 | 4 | 1 | 5 | JANAF | +-0.3 | |
aHSiCl | 108.95 | 2 | 1 | 4 | JANAF | by symmetry |
Bond Type | Count |
---|---|
H-Si | 2 |
Si-Cl | 2 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
Si1 | 0.0000 | 0.0000 | 0.7623 |
H2 | -1.2219 | 0.0000 | 1.5974 |
H3 | 1.2219 | 0.0000 | 1.5974 |
Cl4 | 0.0000 | 1.6625 | -0.4079 |
Cl5 | 0.0000 | -1.6625 | -0.4079 |
Si1 | H2 | H3 | Cl4 | Cl5 | |
---|---|---|---|---|---|
Si1 | 1.4800 | 1.4800 | 2.0330 | 2.0330 | |
H2 | 1.4800 | 2.4438 | 2.8771 | 2.8771 | |
H3 | 1.4800 | 2.4438 | 2.8771 | 2.8771 | |
Cl4 | 2.0330 | 2.8771 | 2.8771 | 3.3250 | |
Cl5 | 2.0330 | 2.8771 | 2.8771 | 3.3250 |
squib | reference | DOI |
---|---|---|
1976Wel/Ger:117 | R Wellington Davis, MCL Gerry "The Microwave Spectrum, Structure, Chlorine Nuclear Quadrupole Coupling Constants, Dipole Moment, and Centrifugal Distortion Constants of Dichlorosilane" J. Mol. Spectrosc. 60, 117-129, 1976 | 10.1016/0022-2852(76)90120-X |
JANAF | Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1. |
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