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Experimental data for ClONO (chlorine nitrite)

22 02 02 11 45
Other names
Nitrosyl hypochlorite; hypochlorous nitrous anhydride; chlorine nitrite;
INChI INChIKey SMILES IUPAC name
InChI=1S/ClNO2/c1-4-2-3 NXRVFVBNLWGOCL-UHFFFAOYSA-N ClON=O
State Conformation
1A' CS cis
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
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 A' 1715   webbook      
2 A' 858          
3 A' 644          
4 A' 406          
5 A' 270          

Calculated vibrational frequencies for ClONO (chlorine nitrite).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
0.60810 0.15249 0.12175 1979Kaw/Tak:119

Calculated rotational constants for ClONO (chlorine nitrite).
Product of moments of inertia moments of inertia
424329.6amu3Å6   1.94299332855262E-114gm3 cm6
Geometric Data
picture of chlorine nitrite

Point Group Cs


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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for ClONO (chlorine nitrite).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Cl1 O2
O2 N3
N3 O4
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A'
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 1A' CS cis True           Cs 2 3
1 2 1A' CS trans           Cs 2 3
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 ClONO (chlorine nitrite).
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 1A' CS cis True       Cs 2 3
1 2 1A' CS trans       Cs 2 3

Calculated electric quadrupole moments for ClONO (chlorine nitrite).

References
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squib reference DOI
1979Kaw/Tak:119 Y Kawashima, H Takeo, C Matsumura "Microwave Spectrum of Cis Chlorine Nitrite, ClONO" Chem. Phys. Lett. 63(1) 119, 1979 10.1016/0009-2614(79)80471-6
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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