Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.837 |
0.742 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.068 |
0.725 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.068 |
0.725 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.068 |
0.724 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.068 |
0.724 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.864 |
0.709 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.525 |
0.436 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.525 |
0.433 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.545 |
0.390 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.837 |
0.309 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.525 |
-0.295 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.288 |
0.248 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.126 |
0.228 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.088 |
0.171 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.759 |
0.163 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.759 |
0.163 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.091 |
-0.149 |
SiC |
silicon monocarbide |
rCSi |
1.722 |
1.650 |
-0.072 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.093 |
0.063 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.759 |
0.063 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.759 |
0.063 |
21 molecules.