Listing of experimental geometry data for Si2H6 (disilane)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
| A |
B |
C |
| 1.43000 |
0.17200 |
0.17200 |
Rotational Constants from
1957Bet/Wil:1107
Calculated rotational constants
for Si2H6 (disilane).
Point Group D3d
Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type |
Count |
| Si-Si |
1 |
| H-Si |
6 |
| Atom |
x (Å) |
y (Å) |
z (Å) |
| Si1
| 0.0000
| 0.0000
| 1.1600
|
| Si2
| 0.0000
| 0.0000
| -1.1600
|
| H3
| 0.0000
| 1.3865
| 1.6483
|
| H4
| -1.2008
| -0.6933
| 1.6483
|
| H5
| 1.2008
| -0.6933
| 1.6483
|
| H6
| 0.0000
| -1.3865
| -1.6483
|
| H7
| -1.2008
| 0.6933
| -1.6483
|
| H8
| 1.2008
| 0.6933
| -1.6483
|
Atom - Atom Distances (Å)
| |
Si1 |
Si2 |
H3 |
H4 |
H5 |
H6 |
H7 |
H8 |
| Si1 | | 2.3200 | 1.4700 | 1.4700 | 1.4700 | 3.1319 | 3.1319 | 3.1319 |
|---|
| Si2 | 2.3200 | | 3.1319 | 3.1319 | 3.1319 | 1.4700 | 1.4700 | 1.4700 |
|---|
| H3 | 1.4700 | 3.1319 | | 2.4016 | 2.4016 | 4.3078 | 3.5763 | 3.5763 |
|---|
| H4 | 1.4700 | 3.1319 | 2.4016 | | 2.4016 | 3.5763 | 3.5763 | 4.3078 |
|---|
| H5 | 1.4700 | 3.1319 | 2.4016 | 2.4016 | | 3.5763 | 4.3078 | 3.5763 |
|---|
| H6 | 3.1319 | 1.4700 | 4.3078 | 3.5763 | 3.5763 | | 2.4016 | 2.4016 |
|---|
| H7 | 3.1319 | 1.4700 | 3.5763 | 3.5763 | 4.3078 | 2.4016 | | 2.4016 |
|---|
| H8 | 3.1319 | 1.4700 | 3.5763 | 4.3078 | 3.5763 | 2.4016 | 2.4016 | |
|---|
Calculated geometries
for Si2H6 (disilane).
References
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| squib |
reference |
DOI |
| 1957Bet/Wil:1107 |
GW Bethke, MK Wilson "Vibrational Spectrum of Disilane" J. Chem. Phys. 26(5), 1107, 1957 |
10.1063/1.1743480 |
| 1998Gup/Pra:1607 |
Gupte, Prasad, Ground State Geometries and Vibrational Spectra of Small Hyrdogenated Silicon Clusters Using Nonorthogonal Tight-binding Molecular Dynamics, Inter. J. of Mod. Phys. B, Vol. 12, #15, pgs. 1607-1622 |
10.1142/S0217979298000880 |
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