II.A.3. (XII.A.1.) |
Listing of experimental geometry data for CCl4 (Carbon tetrachloride)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A | B | C |
---|---|---|
0.05713 | 0.05713 | 0.05713 |
Calculated rotational constants for CCl4 (Carbon tetrachloride).
Point Group Td
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 | ||||
rCCl | 1.767 | 1 | 2 | 1998Kuc | |||
aClCCl | 109.4712 | 2 | 1 | 3 | from symmetry |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type | Count |
---|---|
C-Cl | 4 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
C1 | 0.0000 | 0.0000 | 0.0000 |
Cl2 | 1.0202 | 1.0202 | 1.0202 |
Cl3 | -1.0202 | -1.0202 | 1.0202 |
Cl4 | -1.0202 | 1.0202 | -1.0202 |
Cl5 | 1.0202 | -1.0202 | -1.0202 |
Atom - Atom Distances (Å)
C1 | Cl2 | Cl3 | Cl4 | Cl5 | |
---|---|---|---|---|---|
C1 | 1.7670 | 1.7670 | 1.7670 | 1.7670 | |
Cl2 | 1.7670 | 2.8855 | 2.8855 | 2.8855 | |
Cl3 | 1.7670 | 2.8855 | 2.8855 | 2.8855 | |
Cl4 | 1.7670 | 2.8855 | 2.8855 | 2.8855 | |
Cl5 | 1.7670 | 2.8855 | 2.8855 | 2.8855 |
Calculated geometries for CCl4 (Carbon tetrachloride).
References
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By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib | reference | DOI |
---|---|---|
1984Yam/Tak:3800 | Yamamoto, S.; Takami, M.; Kuchitsu, K. "Diode laser spectroscopy of the (nu)3 band of carbon tetrachloride (C35Cl4) Stark modulation and cold jet infrared absorption spectrum." Journal of Chemical Physics. 81, 3800-3804 (1984) | 10.1063/1.448181 |
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 | 10.1007/978-3-642-45748-7 |
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