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Experimental data for NF- (nitrogen monofluorine anion)

22 02 02 11 45
Other names
Fluoroimidogen;
INChI INChIKey SMILES IUPAC name
InChI=1S/FN/c1-2 CMUBZTZNXGBJMQ-UHFFFAOYSA-N [N]F
State Conformation
3Σ C*V
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 232.99 3.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 233.00 3.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 213.02   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.74   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 30.23   J K-1 mol-1 Gurvich
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 Σ 1123 1141 1979HUB/HER      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1141.37 8.99 1.205679 0.014889 568.8102 2007Iri:389

vibrational zero-point energy: 561.7 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for NF- (nitrogen monofluorine anion).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  1.20568   1979HUB/HER

Calculated rotational constants for NF- (nitrogen monofluorine anion).
Product of moments of inertia moments of inertia
13.98184amu Å2   2.321776E-39gm cm2
Geometric Data
picture of nitrogen monofluorine anion

Point Group C∞v


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 1.317   1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
N1 0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.3170

Atom - Atom Distances bond lengths
Distances in Å
  N1 F2
N1   1.3170
F2 1.3170  

Calculated geometries for NF- (nitrogen monofluorine anion).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
N1 F2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3 1979HUB/HER 3Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
12.100 0.400 12.630 0.010 webbook

Electron Affinity (eV)
Electron Affinity unc. reference
0.500   webbook
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 3Σ C∞v True       0.370 1974Hel/Hel(II/6) DR μ0 ± 0.06 D C∞v 1 1
2 1 1Σ C∞v True           C∞v 1 1
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 NF- (nitrogen monofluorine anion).
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 3Σ C∞v True       C∞v 1 1
2 1 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for NF- (nitrogen monofluorine anion).

References
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squib reference DOI
1974Hel/Hel(II/6) Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974. 10.1007/b19951 
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979 10.1007/978-1-4757-0961-2
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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