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Experimental data for NF3+ (Nitrogen trifluoride cation)

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Other names
Nitrogen fluoride; Nitrogen fluoride (NF3); Nitrogen trifluoride; Perfluoroammonia; Trifluoroamine; Trifluoroammonia;
INChI INChIKey SMILES IUPAC name
InChI=1S/F3N/c1-4(2)3 GVGCUCJTUSOZKP-UHFFFAOYSA-N FN(F)F Nitrogen trifluoride
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 -132.09 1.13 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation -126.37 1.13 kJ mol-1 JANAF
Entropy (298.15K) entropy 260.77   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 11.85   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 53.35   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 1032   Shim 29.6   1977Gol/Jea:901 NF3 s-stretch
2 A1 647   Shim 1.5   1977Gol/Jea:901 NF3 umbrella
3 E 907   Shim 398.0   1977Gol/Jea:901 NF3 d-stretch
4 E 492   Shim 1.4   1977Gol/Jea:901 NF3 d-deform

vibrational zero-point energy: 2238.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for NF3+ (Nitrogen trifluoride cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
0.35628 0.35628 0.19493 1996Nov/Che:219

Calculated rotational constants for NF3+ (Nitrogen trifluoride cation).
Product of moments of inertia moments of inertia
193601.9amu3Å6   8.86497493226062E-115gm3 cm6
Geometric Data
picture of Nitrogen trifluoride cation

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
rNF 1.365   1 2 1998Kuc
aFNF 102.37 2 1 3 1998Kuc
aXNF 115.88 255 1 2 1998Kuc from symmetry. X is on symmetry axis
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