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

Listing of experimental data for NO (Nitric oxide)

Other names
Amidogen, oxo-; Nitric oxide; Nitrogen monoxide; Nitrogen oxide; Nitrogen oxide (NO); Nitrosyl radical;
INChI SMILES IUPAC name
InChI=1/NO/c1-2 [N]=O
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 91.04 0.08 kJ mol-1 2006Rus/Pin:6592
Hfg(0K) enthalpy of formation 90.54 0.08 kJ mol-1 2006Rus/Pin:6592
Entropy (298.15K) entropy 210.76   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.19   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 29.86   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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 1904 Shim      
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1904.135 14.08836 0.0100467 1.704888 1.754158E-02 948.6467 2007Iri:389

vibrational zero-point energy: 952.1 cm-1
Calculated vibrational frequencies for NO (Nitric oxide).
More spectroscopic constants are available at the NIST Physics Laboratory website:
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/NO.html
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  1.67195   1979HUB/HER

Calculated rotational constants for NO (Nitric oxide).

Product of moments of inertia moments of inertia
10.08262amu Å2   1.674284E-39gm cm2

Geometric Data
picture of Nitric oxide

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
rNO 1.154 0.000 1 2 NISTdiatomic r0

Cartesians
Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
N2 0.0000 0.0000 1.1508

Atom - Atom Distances bond lengths
Distances in Å
  O1 N2
O1   1.1508
N2 1.1508  

Calculated geometries for NO (Nitric oxide).

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

Connectivity
Atom 1 Atom 2
O1 N2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1979HUB/HER 2Π
119.8 2 1979HUB/HER
38440 8 1979HUB/HER
43965.7 2 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.264 0.000 9.264   webbook

Electron Affinity (eV)
Electron Affinity unc. reference
0.026 0.005 webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
0.153 NSRDS-NBS10  

Calculated electric dipole moments for NO (Nitric oxide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for NO (Nitric oxide).
Electric dipole polarizability (Å3) polarizability
alpha unc. Reference
1.698   1997Oln/Can:59

Calculated electric dipole polarizability for NO (Nitric oxide).

References
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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  
1997Oln/Can:59 TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98 10.1016/S0301-0104(97)00145-6
2006Rus/Pin:6592 B Ruscic, RE Pinzon, ML Morton, NK Srinivasan, M-C Su, JW Sutherland, JV Michael "Active Thermochemical Tables: Accurate Enthalpy of Formation of Hydroperoxyl Radical, HO2" J. Phys. Chem. A 2006, 110, 6592-6601 10.1021/jp056311j
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.  
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)  
NSRDS-NBS10 R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967  
Shim Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS NBS-39  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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


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