return to home page

II.A.1. (XV.A.)

Listing of experimental data for NS (Mononitrogen monosulfide)

Other names
Nitrogen sulfide; Sulfur nitride;
INChI SMILES IUPAC name
InChI=1/NS/c1-2 [N]=S
State Conformation
2Π 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 267.40 50.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 266.75 50.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 222.09   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.39   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 31.80   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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 1219 1979HUB/HER      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1218.7 7.28 0.772379 6.284114E-03 607.6133 2007Iri:389

vibrational zero-point energy: 609.3 cm-1
Calculated vibrational frequencies for NS (Mononitrogen monosulfide).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/NS.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.76960   1979HUB/HER

Calculated rotational constants for NS (Mononitrogen monosulfide).

Product of moments of inertia moments of inertia
21.90435amu Å2   3.637359E-39gm cm2

Geometric Data
picture of Mononitrogen monosulfide

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
rNS 1.497 0.000 1 2 NISTdiatomic r0

Cartesians
Atom x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.0000
N2 0.0000 0.0000 1.4940

Atom - Atom Distances bond lengths
Distances in Å
  S1 N2
S1   1.4940
N2 1.4940  

Calculated geometries for NS (Mononitrogen monosulfide).

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

Connectivity
Atom 1 Atom 2
S1 N2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1979HUB/HER 2Π
221.5 2 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
8.870 0.010 8.870 0.010 webbook

Electron Affinity (eV)
Electron Affinity unc. reference
1.194 0.011 webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
1.810 NISTdiatomic  

Calculated electric dipole moments for NS (Mononitrogen monosulfide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for NS (Mononitrogen monosulfide).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979  
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 10.1351/pac198961061027
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

Got a better number? Please email us at cccbdb@nist.gov


Browse
PreviousNext