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| Titel: |
An experimental and computational investigation of the formation and structures of N-hydro and N,N'-dihydro-benzo-2,1,3-chalcogenadiazolium chlorides |
| Auteur: |
Lee, Lucia M. Elder, Philip J. W. Cozzolino, Anthony F. Yang, Qin Vargas-Baca, Ignacio |
| Verschenen in: |
Main group chemistry |
| Paginering: | Jaargang 9 (2010) nr. 1-2 pagina's 117-133 |
| Jaar: |
2010-03-28 |
| Inhoud: |
The conjugate acids of benzo-2,1,3-selena- and benzo-2,1,3-telluradiazole are the simplest members of the family of N-substituted chalcogenadiazolium cations. Four crystalline phases that in principle contain such molecular ions were isolated and structurally characterized: C_{6}H_{4}(NH)_{2}TeCl_{2}, [C_{6}H_{5}(NH)]_{3}[C_{6}H_{4}(NH)_{2}TeCl_{4}]Cl, C_{6}H_{4}N(NH)SeCl and C_{6}H_{4}N(NH)SeCl ยท 1/2 [H_{5}O_{2}]Cl. The stepwise protonation of benzo-2,1,3-teluradiazole in DMSO solution was monitored by ^{1}H NMR, providing an estimate of the basicity of this molecule relative to pyridine. While most of the structures are consistent with the chalcogen in oxidation state II, the molecular geometry of C_{6}H_{4}(NH)_{2}TeCl_{4} is suggestive of oxidation state IV. The relationship between the two structural types was examined with DFT calculations. |
| Uitgever: |
IOS Press |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 2 van 19 gevonden artikelen
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