Vibrational levels (cm-1)
Mode Number |
Symmetry |
Frequency |
Intensity |
Comment |
Description |
Fundamental(cm-1) |
Harmonic(cm-1) |
Reference |
(km mol-1) |
unc. |
Reference |
1 |
Ag |
1535 |
|
webbook |
|
|
|
|
C=C str |
2 |
Ag |
265 |
|
|
|
|
|
|
CBr2 s-str |
3 |
Ag |
144 |
|
|
|
|
|
|
CBr2 sciss |
4 |
Au |
66 |
|
|
|
|
|
|
CBr2 twist |
5 |
B1u |
635 |
|
|
|
|
|
B3U |
CBr2 s-str |
6 |
B1u |
188 |
|
|
|
|
|
B3U |
CBr2 sciss |
7 |
B2g |
464 |
|
|
|
|
|
|
CBr2 wag |
8 |
B2u |
766 |
|
|
|
|
|
|
CBr2 a-str |
9 |
B2u |
119 |
|
|
|
|
|
|
CBr2 rock |
10 |
B3g |
880 |
|
|
|
|
|
B1G |
CBr2 a-str |
11 |
B3g |
208 |
|
|
|
|
|
B1G |
CBr2 rock |
12 |
B3u |
245 |
|
|
|
|
|
B1U |
CBr2 wag |
vibrational zero-point energy: 2757.5 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
C
2Br
4 (tetrabromoethene).
Gas-phase IR spectra can be found in the NIST Chemistry Webbook
here.
Geometric Data
Point Group D2h
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 |
Cartesians
Atom - Atom Distances
Distances in Å
Calculated geometries
for C
2Br
4 (tetrabromoethene).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
C=C |
1 |
C-Br |
4 |
Connectivity
Atom 1 |
Atom 2 |
C1 |
C2 |
C1 |
Br3 |
C1 |
Br4 |
C2 |
Br5 |
C2 |
Br6 |