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

Listing of experimental geometry data for CH3CH(CH3)ONO (Iso-propyl nitrite)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.25169 0.07162 0.05992
Rotational Constants from 1983End/Oka:327
Calculated rotational constants for CH3CH(CH3)ONO (Iso-propyl nitrite).

Point Group C1

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
rCH 1.090 2 1 1987Kuchitsu(II/15) assumed
rCC 1.534 2 6 1987Kuchitsu(II/15) assumed
rCO 1.432 2 11 1987Kuchitsu(II/15)
rON 1.414 11 13 1987Kuchitsu(II/15)
rNO 1.170 12 13 1987Kuchitsu(II/15)
aHCC 109.5 1 2 10 1987Kuchitsu(II/15) assumed
aCCO 107.6 6 2 11 1987Kuchitsu(II/15) assumed
aHCO 109.5 1 2 11 1987Kuchitsu(II/15) assumed
aCON 113.2 2 11 13 1987Kuchitsu(II/15)
aONO 111.2 11 13 12 1987Kuchitsu(II/15)
aCCC 115.2 6 2 10 1987Kuchitsu(II/15)
picture of Iso-propyl nitrite

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 7
C-C 2
C-O 1
N-O 1
N=O 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH3CH(CH3)ONO (Iso-propyl nitrite).


References
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squib reference DOI
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  

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