Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Experimental > One molecule all properties |
Other names |
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Silicon dimer; silicon dimer ; disilicon; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/Si2/c1-2 | NTQGILPNLZZOJH-UHFFFAOYSA-N | [Si]=[Si] | disilicon |
State | Conformation |
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3Σg | D*H |
Property | Value | Uncertainty | units | Reference | Comment |
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Hfg(298.15K) | 583.86 | 22.00 | kJ mol-1 | Gurvich | |
Hfg(0K) | 580.00 | 22.00 | kJ mol-1 | Gurvich | |
Entropy (298.15K) | 238.00 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) | 10.30 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) | 36.26 | J K-1 mol-1 | Gurvich |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
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Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | Σg | 507 | 511 | VEEL5 |
ωe | ωexe | ωeye | Be | αe | ZPE | reference |
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510.98 | 2.02 | 0.239 | 0.00135 | 255.0223 | 2007Iri:389 |
A | B | C | reference | comment |
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