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
Structure and atomic composition
Formula
$D_2O$
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. $D_2O$ $A_{1}$ 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
Chemical functions
  Function Number
$R-OH$ 2
Chemical bonds
  Bond Number
$-O-D$ 2