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Experimental data for CHBrCF2 (1-Bromo-2,2-difluoroethylene)

22 02 02 11 45
Other names
Ethene, 2-bromo-1,1-difluoro-; 2-Bromo-1,1-difluoroethene; 2-Bromo-1,1-difluoroethylene;
INChI INChIKey SMILES IUPAC name
InChI=1S/C2HBrF2/c3-1-2(4)5/h1H QZGNGBWAMYFUST-UHFFFAOYSA-N BrC=C(F)F 2-Bromo-1,1-difluoroethene
State Conformation
1A' CS
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) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference

Calculated vibrational frequencies for CHBrCF2 (1-Bromo-2,2-difluoroethylene).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for CHBrCF2 (1-Bromo-2,2-difluoroethylene).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of 1-Bromo-2,2-difluoroethylene

Point Group Cs


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 x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for CHBrCF2 (1-Bromo-2,2-difluoroethylene).

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
H-C 1
C-F 2
C-Br 1

Connectivity
Atom 1 Atom 2
C1 C2
C1 Br3
C1 H6
C2 F4
C2 F5
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A'
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A' Cs True           Cs 2 3
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 CHBrCF2 (1-Bromo-2,2-difluoroethylene).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A' Cs True       Cs 2 3

Calculated electric quadrupole moments for CHBrCF2 (1-Bromo-2,2-difluoroethylene).

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