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Listing of experimental geometry data for HSSSH (trisulfane)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.47029 0.09174 0.07911
0.47043 0.09182 0.07918
Rotational Constants from 1997Lie/Yam:265-270
Calculated rotational constants for HSSSH (trisulfane).

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
rSS 2.054 1 2 1997Lie/Yam:265-270 reI
rHS 1.344 1 2 1997Lie/Yam:265-270 assumed
aHSS 97.2 1 2 4 1997Lie/Yam:265-270
aSSS 107.02 2 1 3 1997Lie/Yam:265-270
dHSSS 87.7 2 1 3 5 1997Lie/Yam:265-270
rSS 2.053 1 2 1997Lie/Yam:265-270
rHS 1.344 2 4 1997Lie/Yam:265-270
aHSS 97.37 1 2 4 1997Lie/Yam:265-270
aSSS 106.919 2 1 3 1997Lie/Yam:265-270
dHSSS 90.82 2 1 3 5 1997Lie/Yam:265-270
picture of trisulfane

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-S 2
S-S 2
Atom x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.8363
S2 0.0000 1.6513 -0.3851
S3 0.0000 -1.6513 -0.3851
H4 -1.3318 1.7548 -0.5283
H5 1.3318 -1.7548 -0.5283
S1 -0.0533 0.8347 0.0000
S2 -0.0533 -0.3877 1.6495
S3 -0.0533 -0.3877 -1.6495
H4 1.2790 -0.4749 1.7993
H5 1.2790 -0.4749 -1.7993

Atom - Atom Distances (Å)
  S1 S2 S3 H4 H5 S6 S7 S8 H9 H10
S12.05392.05392.59142.59141.18280.90242.51641.66992.9677
S22.05393.30251.34353.66000.90442.88092.39973.30582.8559
S32.05393.30253.66001.34352.51622.39561.78832.79132.2404
H42.59141.34353.66004.40601.66143.31172.73534.14803.6611
H52.59143.66001.34354.40602.98382.92062.24612.65671.8045
S61.18280.90442.51621.66142.98382.05302.05302.59372.5937
S70.90242.88092.39563.31172.92062.05303.29891.34353.6981
S82.51642.39971.78832.73532.24612.05303.29893.69811.3435
H91.66993.30582.79134.14802.65672.59371.34353.69813.5985
H102.96772.85592.24043.66111.80452.59373.69811.34353.5985

Calculated geometries for HSSSH (trisulfane).
References
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squib reference DOI
1997Lie/Yam:265-270 M Liedtke, KMT Yamada, G Winnewisser, J Hahn "Molecular structure of cis- and trans-H2S3" J. Mol. Struct. 413-414 (I 997) 265-270 10.1016/S0022-2860(97)00030-6

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