Molecule
- Name
- Heavy water
- IUPAC name
- (2H2)Water
- Secondary names
- deuterium oxide, Water-d2, Dideuterium monoxide, D2O
- InChI
- InChI=1S/H2O/h1H2/i/hD2
- InChI key
- XLYOFNOQVPJJNP-ZSJDYOACSA-N
- CAS number
- 7789-20-0
- Comments
- $D2O$ natural D-substituted
- Formula
- $D_2O$
- Chemical formula
- H2O
- Isotopic formula
- D2O
- Structural formula
- O([2H])[2H]
- Charge
- 0
- Unpaired electrons
- 0
- Relations
-
- no
- Isotope mixture type
- partly substituted
- Spin type
- equilibrated
- Molar mass
- 20.0276 $g/mol$
- State STP
- solid
- Protic
- protic
- Polarity
- polar
- Dipole
- 1.87 $D$
- Molecule symmetry
- C2v
- Case
- nonlinear-triatomic
- Vibrations number
- 3
- Vibrations
-
Label Mode Bond Symmetry Degeneracy Fundamental frequency Observed frequency Observed frequency Harmonic frequency Activity IR Activity Raman Strength Comments V1 stretching sym. $D_2O$ $A_{1}$ no 2671.0 2671.46 active active Raman: 2666 $cm^{-1}$ (gas) V2 bending $D_2O$ $A_{1}$ no 1178.0 1178.33 active active V3 stretching asym. $D_2O$ $B_{1}$ no 2788.0 2788.05 active active - Comments
- Data from NIST Chemistry WebBook
- Publications