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Listing of experimental geometry data for BH3CO (Borane carbonyl)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
Rotational Constants from 1977Ven/Tay:17-23
Calculated rotational constants for BH3CO (Borane carbonyl).

Point Group C3v

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
rBC 1.534 1 2 1977Ven/Tay:17-23
rCO 1.135 2 3 1977Ven/Tay:17-23
rHB 1.221 1 4 1977Ven/Tay:17-23
aHBC 103.79 2 1 4 1977Ven/Tay:17-23
aHBH 114.5 4 1 5 1977Ven/Tay:17-23
picture of Borane carbonyl

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
B-C 1
C#O 1
H-B 3
Atom x (Å) y (Å) z (Å)
B1 0.0000 0.0000 -1.3492
C2 0.0000 0.0000 0.1848
O3 0.0000 0.0000 1.3198
H4 0.0000 1.1858 -1.6403
H5 1.0269 -0.5929 -1.6403
H6 -1.0269 -0.5929 -1.6403

Atom - Atom Distances (Å)
  B1 C2 O3 H4 H5 H6

Calculated geometries for BH3CO (Borane carbonyl).
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squib reference DOI
1977Ven/Tay:17-23 AC Venkatachar, RC Taylor, RL Kuczkowski "Microwave spectrum, structure, quadrupole coupling constants and dipole moment of carbon monoxide-borane" J. Mol. Struct. 38, 1977, 17-23 10.1016/0022-2860(77)87074-9

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