Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
CH3S |
thiomethoxy |
rCH |
1.090 |
2.357 |
1.267 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.837 |
0.742 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.837 |
0.742 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.072 |
0.728 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.072 |
0.728 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.072 |
0.728 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.072 |
0.728 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.880 |
0.725 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.523 |
0.434 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.523 |
0.434 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.523 |
0.431 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.523 |
0.431 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.555 |
0.400 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.837 |
0.309 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.837 |
0.309 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.523 |
-0.297 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.523 |
-0.297 |
HCl+ |
hydrogen chloride cation |
rHCl |
1.315 |
1.581 |
0.267 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.287 |
0.247 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.129 |
0.231 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.090 |
0.173 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.086 |
-0.154 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.741 |
0.144 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.741 |
0.144 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.641 |
-0.081 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.516 |
-0.064 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.089 |
0.059 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.898 |
0.058 |
BHCl2 |
Borane, dichloro- |
rBH |
1.130 |
1.180 |
0.050 |
29 molecules.