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Listing of experimental geometry data for HSiCl (Chlorosilylene)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
7.58660 0.24628 0.23830
Rotational Constants from 1997Har/Clo:9461-9473
Calculated rotational constants for HSiCl (Chlorosilylene).

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
rSiCl 2.067 1 2 2001Hos/Ndi:5485-5491 re
rSiH 1.525 1 3 2001Hos/Ndi:5485-5491 re
aHSiCl 96.9 2 1 3 2001Hos/Ndi:5485-5491
picture of Chlorosilylene

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Si-Cl 1
H-Si 1
Atom x (Å) y (Å) z (Å)
Si1 0.0473 1.0924 0.0000
Cl2 0.0473 -0.9746 0.0000
H3 -1.4666 1.2756 0.0000

Atom - Atom Distances (Å)
  Si1 Cl2 H3
Si12.06701.5250
Cl22.06702.7121
H31.52502.7121

Calculated geometries for HSiCl (Chlorosilylene).
References
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squib reference DOI
1997Har/Clo:9461-9473 WW Harper, DJ Clouthier "Reinvestigation of the HSiCl electronic spectrum: Experimental reevaluation of the geometry, rotational constants, and vibrational frequencies" J. Chem. Phys. 106, 9461 (1997) 10.1063/1.473849
2001Hos/Ndi:5485-5491 DA Hostutler, N Ndiege, DJ Clouthier "Emission spectroscopy, harmonic vibrational frequencies, and improved ground state structures of jet-cooled monochloro- and monobromosilylene „HSiCl and HBSir"J. Chem. Phys. 115, 5485 (201) 10.1063/1.1397795

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