FAIR data for Hypervalence and octet-expansion in trimethylene-λ6-sulfane and related species
DOI: 10.14469/hpc/3316 Metadata
Created: 2017-11-27 09:33
Last modified: 2017-12-29 14:37
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Previously: Non-polar "hypervalence" such as SeMe6, SMe6, ClMe3, ClMe5 all revealed interesting properties for the Se-C, S-C or Cl-C "single" bonds. The latter two examples in particular hinted at internal structures for these single bonds,  as manifested by two ELF basins for some of the bonds.  Here  I take a look at the related molecule where a formal double bond between carbon and the central sulfur atom might also hint at octet expansions and hypervalence.
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/3268 | Hyper-chemistry: -valency, -bonds, -coordination and -data (FAIR). |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/3318 | S(CH2)2O Wiberg |
| 10.14469/hpc/3326 | S(CF2)3 WFN |
| 10.14469/hpc/3359 | SMe6 Wiberg Def2-TZVPP |
| 10.14469/hpc/3319 | (CH2)O 2 Wiberg |
| 10.14469/hpc/3342 | SMe6 WFN Def2-TZVPP |
| 10.14469/hpc/3322 | SO3 Wiberg |
| 10.14469/hpc/3324 | SS3 Wiberg |
| 10.14469/hpc/3325 | S(CF2)3 Wiberg |
| 10.14469/hpc/3413 | Ti(Me)6 |
| 10.14469/hpc/3315 | SS3 WFN |
| 10.14469/hpc/3314 | SO3 WFN |
| 10.14469/hpc/3313 | S(CH2)2O WFN |
| 10.14469/hpc/3312 | S(CH2)O2 WFN |
| 10.14469/hpc/3317 | SC2 WFN (bis carbene?) |
| 10.14469/hpc/3309 | S(CH2)3 WFN triplet |
| 10.14469/hpc/3307 | SN2 WFN |
| 10.14469/hpc/3308 | S(CH2)3 CASSCF(10,10) wfn opt |
| 10.14469/hpc/3305 | S(CH2)3 Wiberg |
| 10.14469/hpc/3304 | S(CH2)3 WFN |
| 10.14469/hpc/3546 | SMe4 WFN |
| 10.14469/hpc/3547 | SMe4 NBO Wiberg |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/3327 | Hypervalence and octet-expansion in trimethylene-λ6-sulfane and related species. |