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

Listing of experimental geometry data for PH2 (Phosphino radical)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
9.12000 8.08700 4.22500
Rotational Constants from 1966Herzberg
Calculated rotational constants for PH2 (Phosphino radical).

Point Group C2v

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
rPH 1.428 1 2 1966Herzberg
aHPH 91.5 2 1 3 1966Herzberg
picture of Phosphino radical

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-P 2

Atom x (Å) y (Å) z (Å)
P1 0.0000 0.0000 0.0000
H2 0.0000 1.0229 0.9964
H3 0.0000 -1.0229 0.9964

Atom - Atom Distances (Å)
  P1 H2 H3
P11.42801.4280
H21.42802.0458
H31.42802.0458

Calculated geometries for PH2 (Phosphino radical).


References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  

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


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