Vibrational levels (cm-1)
Mode Number |
Symmetry |
Frequency |
Intensity |
Comment |
Description |
Fundamental(cm-1) |
Harmonic(cm-1) |
Reference |
(km mol-1) |
unc. |
Reference |
1 |
A1 |
235 |
|
webbook |
|
|
|
|
|
2 |
E |
79 |
|
|
|
|
|
|
|
3 |
T2 |
327 |
|
|
|
|
|
|
|
4 |
T2 |
112 |
|
|
|
|
|
|
|
vibrational zero-point energy: 855.0 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
GeBr
4 (Germanium tetrabromide).
Geometric Data
Point Group Td
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 |
rGeBr |
2.272 |
0.001 |
1 |
2 |
|
|
1975Sou/Wie:442-444 |
ED r0 |
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
Ge1 |
0.0000 |
0.0000 |
0.0000 |
Br2 |
1.3117 |
1.3117 |
1.3117 |
Br3 |
-1.3117 |
-1.3117 |
1.3117 |
Br4 |
-1.3117 |
1.3117 |
-1.3117 |
Br5 |
1.3117 |
-1.3117 |
-1.3117 |
Atom - Atom Distances
Distances in Å
|
Ge1 |
Br2 |
Br3 |
Br4 |
Br5 |
Ge1 |
|
2.2720 | 2.2720 | 2.2720 | 2.2720 |
Br2 |
2.2720 |
|
3.7102 | 3.7102 | 3.7102 |
Br3 |
2.2720 | 3.7102 |
|
3.7102 | 3.7102 |
Br4 |
2.2720 | 3.7102 | 3.7102 |
|
3.7102 |
Br5 |
2.2720 | 3.7102 | 3.7102 | 3.7102 |
|
Calculated geometries
for GeBr
4 (Germanium tetrabromide).
Experimental Bond Angles (degrees) from cartesians
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Br2 |
Ge1 |
Br3 |
109.471 |
|
Br2 |
Ge1 |
Br4 |
109.471 |
Br2 |
Ge1 |
Br5 |
109.471 |
|
Br3 |
Ge1 |
Br4 |
109.471 |
Br3 |
Ge1 |
Br5 |
109.471 |
|
Br4 |
Ge1 |
Br5 |
109.471 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
Atom 1 |
Atom 2 |
Ge1 |
Br2 |
Ge1 |
Br3 |
Ge1 |
Br4 |
Ge1 |
Br5 |
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 |
1A1 |
Td |
True |
|
|
|
|
|
|
Td |
0 |
0 |
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
GeBr
4 (Germanium tetrabromide).
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 |
1A1 |
Td |
True |
|
|
|
|
|
Td |
0 |
0 |
Calculated electric quadrupole moments for
GeBr
4 (Germanium tetrabromide).