Vibrational levels (cm-1)
Mode Number |
Symmetry |
Frequency |
Intensity |
Comment |
Description |
Fundamental(cm-1) |
Harmonic(cm-1) |
Reference |
(km mol-1) |
unc. |
Reference |
1 |
Σ |
529 |
536 |
2007Iri:389 |
|
|
|
|
|
Detailed diatomic data
ωe |
ωexe |
ωeye |
Be |
αe |
ZPE
| reference |
535.658 |
3.57523 |
0.018453 |
0.4369015 |
4.559178E-03 |
267.1154 |
2007Iri:389 |
vibrational zero-point energy: 264.3 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
NaF (sodium fluoride).
More spectroscopic constants are available at the NIST Physics Laboratory website:
Geometric Data
Point Group C∞v
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description |
Value |
unc. |
Connectivity |
Reference |
Comment |
Atom 1 |
Atom 2 |
Atom 3 |
Atom 4 |
rNaF |
1.926 |
0.000 |
1 |
2 |
|
|
NISTDiatomic |
re |
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
Na1 |
0.0000 |
0.0000 |
0.0000 |
F2 |
0.0000 |
0.0000 |
1.9259 |
Atom - Atom Distances
Distances in Å
|
Na1 |
F2 |
Na1 |
|
1.9259 |
F2 |
1.9259 |
|
Calculated geometries
for NaF (sodium fluoride).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
Dipole, Quadrupole and Polarizability
Electric dipole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Dipole (Debye) |
Reference |
comment |
Point Group |
Components |
x |
y |
z |
total |
dipole |
quadrupole |
1 |
1 |
1Σ |
C∞v |
True |
|
|
|
8.123 |
NISTdiatomic |
± 0.0015 |
C∞v |
1 |
1 |
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for
NaF (sodium fluoride).
Vibration specific dipole moments
Vibrational Quantum numbers |
Dip x |
Dip y |
Dip z |
Dip total |
Squib |
Comment |
0 |
|
|
|
8.156 |
|
|
1 |
|
|
|
8.221 |
|
|
2 |
|
|
|
8.287 |
|
|
equil |
|
|
|
8.123 |
NISTDiatomic |
|
Electric quadrupole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
xx |
yy |
zz |
dipole |
quadrupole |
1 |
1 |
1Σ |
C∞v |
True |
0.985 |
0.985 |
-1.969 |
1974Hel/Hel(II/6) |
-1.969317079+_0.720481858 |
C∞v |
1 |
1 |
Calculated electric quadrupole moments for
NaF (sodium fluoride).