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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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Magnesium; Magnesium dimer; dimagnesium; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/2Mg | HZZOEADXZLYIHG-UHFFFAOYSA-N | [Mg]=[Mg] | dimagnesium |
State | Conformation |
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1Σg | D*H |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
287.63 | 0.08 | kJ mol-1 | JANAF | Gurvich slightly different |
Hfg(0K) ![]() |
288.16 | 0.08 | kJ mol-1 | JANAF | Gurvich slightly different |
Entropy (298.15K) ![]() |
240.19 | 0.50 | J K-1 mol-1 | JANAF | |
Integrated Heat Capacity (0 to 298.15K) ![]() |
9.46 | kJ mol-1 | JANAF | Gurvich slitghtly different | |
Heat Capacity (298.15K) ![]() |
24.29 | J K-1 mol-1 | JANAF | Gurvich slitghtly different |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | Σg | 48 | 51 | 1979HUB/HER |
ωe | ωexe | ωeye | Be | αe | ZPE | reference |
---|---|---|---|---|---|---|
51.121 | 1.645 | 0.01624 | 0.09287 | 0.003776 | 25.25951 | 2007Iri:389 |
A | B | C | reference | comment |
---|---|---|---|---|
0.09287 | 1979HUB/HER |
Product of moments of inertia ![]() | ||||
---|---|---|---|---|
181.5186 | amu Å2 | 3.014234E-38 | gm cm2 |