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

Listing of experimental geometry data for C4H9N (Pyrrolidine)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.22798 0.22275 0.12969
Rotational Constants from 1984Cam/Obe:217
Calculated rotational constants for C4H9N (Pyrrolidine).

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
rCN 1.469 1 3 1992Kuchitsu(II/21)
rCC 1.534 3 5 1992Kuchitsu(II/21)
rCH 1.090 3 7 1992Kuchitsu(II/21)
rNH 1.020 1 2 1992Kuchitsu(II/21)
aCNC 105.2 3 1 4 1992Kuchitsu(II/21)
aHCH 106 7 3 9 1992Kuchitsu(II/21)
aHNC 107 2 1 3 1992Kuchitsu(II/21) !assumed
aCCN 104.6 1 3 5 1992Kuchitsu(II/21) dependent
aCCC 104.9 3 5 6 1992Kuchitsu(II/21) dependent
picture of Pyrrolidine

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 8
H-N 1
C-C 3
C-N 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C4H9N (Pyrrolidine).


References
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squib reference DOI
1984Cam/Obe:217 W Caminati, H Oberhammer, G Pfafferott, RR Filgueira, CH Gomez "The Microwave Spectrum of Pyrrolidine" J. Mol. Spect. 106, 217-226 (1984) 10.1016/0022-2852(84)90094-8
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.  

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