CCCBDB listing of experimental geometry data page 2

Predict the Molecular Geometry of ClNO (nitrosyl chloride)
Predict the Molecular Geometry of ClNO (nitrosyl chloride)

II.A.3. (XII.A.1.)

Listing of experimental geometry data for ClNO (Nitrosyl chloride)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units

A B C
2.90938 0.19176 0.17991

Calculated rotational constants for ClNO (Nitrosyl chloride).

Point Group Cs

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)

Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rNCl 1.975 1 2 1976Hellwege(II/7)
rNO 1.139 2 3 1976Hellwege(II/7)
aONCl 113.3 1 2 3 1976Hellwege(II/7)

picture of Nitrosyl chloride

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
N-Cl 1
Atom x (Å) y (Å) z (Å)
Cl1 -0.5312 -0.9298 0.0000
N2 0.0000 0.9724 0.0000
O3 1.1287 1.1250 0.0000

Atom – Atom Distances (Å)

Cl1 N2 O3
Cl1 1.9750 2.6415
N2 1.9750 1.1390
O3 2.6415 1.1390

Calculated geometries for ClNO (Nitrosyl chloride).

References
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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
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1983Caz/Esp:165 G Cazzoli “EQUILIBRIUM STRUCTURE AND FORCE-FIELD OF NITROSYL CHLORIDE” J. Mol. Spect. 97(1) 165-185, 1983 10.1016/0022-2852(83)90343-0

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