IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31HF/aug-cc-pV(T+d)Z for rSS
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.070 are in the 0.070 bin. Differences less than -0.050 are in the -0.050 bin.
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.050 | -0.040 | -0.030 | -0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | S2+ | sulfur diatomic cation | -0.048 |
Most positive difference | FSSF | Difluorodisulfane | 0.037 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
S2+ | sulfur diatomic cation | 1.825 | -0.048 |
S3 | Sulfur trimer | 1.917 | -0.038 |
S2 | Sulfur diatomic | 1.889 | -0.026 |
HSSSH | trisulfane | 2.054 | -0.004 |
HSSSH | trisulfane | 2.054 | -0.004 |
H2S2 | Disulfane | 2.056 | -0.003 |
HSSSH | trisulfane | 2.053 | -0.003 |
HSSSH | trisulfane | 2.053 | -0.003 |
FSSF | Difluorodisulfane | 1.890 | 0.037 |