Molecular and Electronic Structure of Electron-Transfer Active Main-Group Organometallics.

The molecular structure of the single-electron-transfer (SET) reagent l,4-bis(triisopropylsilyl)-l,4-dihydropyrazine (1) shows a virtually planar ring system with eight conjugating TT electrons, effectively shielded N-Si bonds, and nonbonded contacts between ring and isopropyl hydrogen atoms. The compound undergoes an electrochemically reversible one-electron oxidation at a very low potential; electronic and steric stabilization as well as an apparently small geometry change on oxidation make this extremely electron-rich main-group organometallic molecule highly suitable for the study of outer-sphere SET processes. The color of yellow 1 and of related compounds is attributed to weak ir -*•

Keywords:

• Computational chemistry
• Electron transfer
• Electronic structure
• Chemistry
• Inorganic chemistry

• Correction
• Source
• Cite
• Save
• Machine Reading By IdeaReader