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Experimental data for SiHF3 (trifluorosilane)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/F3HSi/c1-4(2)3/h4H WPPVEXTUHHUEIV-UHFFFAOYSA-N F[SiH](F)F
State Conformation
1A1 C3V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -1200.81   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 277.26   J K-1 mol-1 webbook
Heat Capacity (298.15K) heat capacity 63.44   J K-1 mol-1 webbook
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
1 A1 2316   webbook      
2 A1 858          
3 A1 425          
4 E 998          
5 E 844          
6 E 306          

vibrational zero-point energy: 3947.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SiHF3 (trifluorosilane).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
0.24111 0.24111 0.13840 1999Dem/Mar:1053-1067

Calculated rotational constants for SiHF3 (trifluorosilane).
Product of moments of inertia moments of inertia
595448.4amu3Å6   2.72654172275625E-114gm3 cm6
Geometric Data
picture of trifluorosilane

Point Group C3v


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
rSiH 1.449 0.000 1 2 1999Dem/Mar:1053-1067
rSiF 1.563 0.000 1 3 1999Dem/Mar:1053-1067
aHSiF 110.6884 0.0004 2 1 3 1999Dem/Mar:1053-1067
aFSiF 108.2271 0.0004 3 1 4 1999Dem/Mar:1053-1067

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.3204
H2 0.0000 0.0000 1.7691
F3 0.0000 1.4619 -0.2317
F4 1.2660 -0.7309 -0.2317
F5 -1.2660 -0.7309 -0.2317

Atom - Atom Distances bond lengths
Distances in Å
  Si1 H2 F3 F4 F5
Si1   1.44871.56271.56271.5627
H2 1.4487   2.47802.47802.4780
F3 1.56272.4780   2.53212.5321
F4 1.56272.47802.5321   2.5321
F5 1.56272.47802.53212.5321  

Calculated geometries for SiHF3 (trifluorosilane).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 Si1 F3 110.688 H2 Si1 F4 110.688
H2 Si1 F5 110.688 F3 Si1 F4 108.227
F3 Si1 F5 108.227 F4 Si1 F5 108.227

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Si 1
F-Si 3
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