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 |
896 |
911 |
2007Iri:389 |
|
|
|
|
|
Detailed diatomic data
ωe |
ωexe |
ωeye |
Be |
αe |
ZPE
| reference |
910.5727 |
8.207956 |
0.569166 |
1.345257 |
2.028749E-02 |
453.7076 |
2007Iri:389 |
vibrational zero-point energy: 448.0 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
LiF
- (lithium fluoride anion).
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 |
rLiF |
1.564 |
0.000 |
1 |
2 |
|
|
NISTdiatomic |
re 7Li 19F |
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
F1 |
0.0000 |
0.0000 |
0.0000 |
Li2 |
0.0000 |
0.0000 |
1.5639 |
Atom - Atom Distances
Distances in Å
|
F1 |
Li2 |
F1 |
|
1.5639 |
Li2 |
1.5639 |
|
Calculated geometries
for LiF
- (lithium fluoride anion).
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 |
|
|
|
6.284 |
NISTdiatomic |
μe |
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
LiF
- (lithium fluoride anion).
Vibration specific dipole moments
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 |
|
|
|
|
|
C∞v |
1 |
1 |
Calculated electric quadrupole moments for
LiF
- (lithium fluoride anion).