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
D2O
Chemical formula
H2O
Isotopic formula
D2O
Structural formula
O([2H])[2H]
Charge
0
Unpaired electrons
0
  Atom Name Number
2H or D Hydrogen 2
O Oxygen 1
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. D2O A1 no 2671.0 2671.46 active active Raman: 2666 cm1 (gas)
V2 bending D2O A1 no 1178.0 1178.33 active active
V3 stretching asym. D2O B1 no 2788.0 2788.05 active active
Comments
Data from NIST Chemistry WebBook
Publications
Chemical functions
  Function Number
ROH 2
Chemical bonds
  Bond Number
OD 2