National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
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XIVReaction data
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XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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

Listing of experimental geometry data for SiH3 (Silyl radical)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
Rotational Constants from 1986Yam/Hir:923
Calculated rotational constants for SiH3 (Silyl radical).

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
rSiH 1.468 1 2 1986Yam/Hir:923
aHSiH 110.5 2 1 3 1986Yam/Hir:923
aXSiH 108.42 255 1 2 1986Yam/Hir:923 from symmetry
picture of Silyl radical

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Si 3

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0819
H2 0.0000 1.3928 -0.3820
H3 1.2062 -0.6964 -0.3820
H4 -1.2062 -0.6964 -0.3820

Atom - Atom Distances (Å)

  Si1 H2 H3 H4

Calculated geometries for SiH3 (Silyl radical).
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squib reference DOI
1986Yam/Hir:923 C Yamada, E Hirota "Detection of the Silyl Radical SiH3 by Infrared Diode-Laser Spectroscopy" Phys. Rev. Lett. 56(9), 923, 1986 10.1103/PhysRevLett.56.923

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