Geometric Data
Point Group Cs
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Cartesians
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
Distances in Å
|
Si1 |
Cl2 |
H3 |
Si1 |
|
2.0670 | 1.5250 |
Cl2 |
2.0670 |
|
2.7121 |
H3 |
1.5250 | 2.7121 |
|
Calculated geometries
for HSiCl (Chlorosilylene).
Experimental Bond Angles (degrees) from cartesians
atom1 |
atom2 |
atom3 |
angle |
Cl2 |
Si1 |
H3 |
96.900 |
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 |
Connectivity
Atom 1 |
Atom 2 |
Si1 |
Cl2 |
Si1 |
H3 |
Dipole, Quadrupole and Polarizability
Electric dipole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Dipole (Debye) |
Reference |
comment |
Point Group |
Components |
x |
y |
z |
total |
dipole |
quadrupole |
1 |
1 |
1A' |
Cs |
True |
|
|
|
|
|
|
Cs |
2 |
3 |
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for
HSiCl (Chlorosilylene).
Electric quadrupole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
xx |
yy |
zz |
dipole |
quadrupole |
1 |
1 |
1A' |
Cs |
True |
|
|
|
|
|
Cs |
2 |
3 |
Calculated electric quadrupole moments for
HSiCl (Chlorosilylene).