Hypervalence and octet-expansion in sulfur hexafluoride.

DOI: 10.14469/hpc/3352 Metadata

Created: 2017-12-01 13:03

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Following on from discussing octet expansion in species such as SeMe6, ClMe3 and ClMe5, I felt impelled to return to SF6, often used as an icon for hypervalence.

Files

FilenameSizeTypeDescription
Diatomics.cdx 18KB chemical/x-cdx Diatomic Diagram

Member of collection / collaboration

DOIDescription
10.14469/hpc/3268 Hyper-chemistry: -valency, -bonds, -coordination and -data (FAIR).

Members

DOIDescription
10.14469/hpc/3425 CrMe6, WFN
10.14469/hpc/3431 CrF6 3- quartet NBO
10.14469/hpc/3283 SF6, wfn
10.14469/hpc/3429 Cr(CN)6, 3- quartet, NBO
10.14469/hpc/3284 SF6 NBOs
10.14469/hpc/3422 Cr(Me)6 Wiberg
10.14469/hpc/3301 SF6 CASSCF(12,12) WFN
10.14469/hpc/3426 CrN3 (-) D3h triplet
10.14469/hpc/3758 SCl6 Def2-TZVPP NBO, S BI = 4.2678
10.14469/hpc/3760 OF6 Oh
10.14469/hpc/3762 NF5 D3h
10.14469/hpc/3430 Cr(CN)6 3-, quartet, WFN
10.14469/hpc/3463 Hexamethyl tungsten NBO Def2-TZVPPD W 6.0901
10.14469/hpc/3471 Hexamethyl tungsten Def2-TZVPPD WFX
10.14469/hpc/3445 Me4CrCrMe4 (4-) NBO Def2-TZVPPD water Cr 6.4726
10.14469/hpc/3475 RETMUY (ReMe8 2-) NBO Re 6.4735
10.14469/hpc/3501 SiMe6 (2-) Def2-TZVPPD Water NBO
10.14469/hpc/3502 SiMe6 (2-) Def2-TZVPPD Water WFN

Associated DOIs

Current dataset ...DOIDescription
References 10.1002/chem.201402755 Article: A Valence Bond Model for Electron-Rich Hypervalent Species: Application to SFn (n=1, 2, 4), PF5, and ClF3.
References 10.14469/hpc/3353 Blog: Hypervalence and octet-expansion in sulfur hexafluoride.

Subject Keywords

KeywordValue
inchi InChI=1S/C16H28/c1-11-5-6-12(2)14-13(11)15(3)7-9-16(14,4)10-8-15/h11-14H,5-10H2,1-4H3
inchikey NPQFMZJBHVIQPN-UHFFFAOYSA-N

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