Table 5.
Method | r(Si-H) | r(Si-Cl) | ∠(HSiCl) | Refs. |
---|---|---|---|---|
CCSD(T)_ae/cc-pwCVQZ | 1.5138 | 2.0697 | 95.302 | [29] |
CCSD(T)_ae/cc-pCVQZ | 1.51469 | 2.07122 | 95.303 | [55] |
CCSD(T)_ae/cc-pwCVQZ | 1.5138 | 2.0697 | 95.31 | This work |
a | 1.525(5) | 2.067(3) | 96.9(5) | [54] |
b | 1.5146 | 2.0697 | 94.78 | [29] |
c | 1.5140 | 2.0724 | 94.66 | [29] |
Predicates d | 1.5147(20) | 2.0712(50) | 95.303(500) | This work |
e | 1.5145(7) | 2.0719(2) | 95.22(11) | This work |
a Derived from the rz structure. b Rovibrational corrections from a CCSD(T)/cc-pVTZ cubic force field. c Rovibrational corrections from a CCSD(T)/cc-pCVTZ cubic force field. d Predicates from the CCSD(T)/cc-pwCVQZ structure [55]. e Semi-experimental rotational constants from [29] and predicates from the previous line.