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 |
|
124 |
webbook |
|
|
|
we |
|
vibrational zero-point energy: cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
NaK
+ (Sodium Potassium diatomic cation).
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 |
rNaK |
3.589 |
0.010 |
1 |
2 |
|
|
webbook |
re |
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
Na1 |
0.0000 |
0.0000 |
0.0000 |
K2 |
0.0000 |
0.0000 |
3.5890 |
Atom - Atom Distances
Distances in Å
|
Na1 |
K2 |
Na1 |
|
3.5890 |
K2 |
3.5890 |
|
Calculated geometries
for NaK
+ (Sodium Potassium diatomic cation).
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 |
0.000 |
0.000 |
2.667 |
2.667 |
webbook |
|
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
NaK
+ (Sodium Potassium diatomic cation).
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
NaK
+ (Sodium Potassium diatomic cation).