Experimental data for SeF4 (Selenium tetrafluoride)
22 02 02 11 45
Other names |
tetrafluoroselenium;
|
INChI |
INChIKey |
SMILES |
IUPAC name |
InChI=1S/F4Se/c1-5(2,3)4 |
PMOBWAXBGUSOPS-UHFFFAOYSA-N |
F[Se](F)(F)F |
|
State |
Conformation |
1A1 |
C2V |
Enthalpy of formation (Hfg),
Entropy,
Integrated heat capacity (0 K to 298.15 K) (HH),
Heat Capacity (Cp)
Property |
Value |
Uncertainty |
units |
Reference |
Comment |
Information can also be found for this species in the
NIST Chemistry Webbook
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 |
747 |
|
1976Pil/Kum:226-228 |
|
|
|
|
|
2 |
A1 |
571 |
|
|
|
|
|
|
|
3 |
A1 |
361 |
|
|
|
|
|
reassigned from 7 |
|
4 |
A1 |
156 |
|
|
|
|
|
|
|
5 |
A2 |
|
|
|
|
|
|
|
|
6 |
B1 |
733 |
|
|
|
|
|
|
|
7 |
B1 |
250 |
|
|
|
|
|
reassigned from 9 |
|
8 |
B2 |
622 |
|
|
|
|
|
|
|
9 |
B2 |
409 |
|
|
|
|
|
reassigned from 3 |
|
vibrational zero-point energy: 1924.5 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
SeF
4 (Selenium tetrafluoride).
Geometric Data
Point Group C2v
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Cartesians
Atom - Atom Distances
Distances in Å
Calculated geometries
for SeF
4 (Selenium tetrafluoride).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
Atom 1 |
Atom 2 |
Se1 |
F2 |
Se1 |
F3 |
Se1 |
F4 |
Se1 |
F5 |
Electronic energy levels (cm-1)
Energy (cm-1) |
Degeneracy |
reference |
description |
0 |
1 |
|
1A1 |
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 |
C2v |
True |
|
|
1.779 |
1.779 |
1968Bow/Bro:454-460 |
MW +-0.057 D μ0 |
C2v |
1 |
2 |
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
SeF
4 (Selenium tetrafluoride).
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 |
C2v |
True |
|
|
|
|
|
C2v |
1 |
2 |
Calculated electric quadrupole moments for
SeF
4 (Selenium tetrafluoride).
References
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squib |
reference |
DOI |
1968Bow/Bro:454-460 |
IC Bowater, RD Brown, FR Burden "Microwave spectrum, dipole moment, and structure analysis of selenium tetrafluoride" J. Mol. Spec. 28, 454-460, 1968 |
10.1016/0022-2852(68)90178-1 |
1976Pil/Kum:226-228 |
MGK Pillai, V Kumar "Classification of fundamental frequencies of selenium tetrafluoride and tellerium tetrafluoride based on a modified UBFF" Indian J. of Pure and Appl. Phys. |
|
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