The connection between hydride affinity and local electrophilicity: a key factor in designing frustrated Lewis pairs for reversible H

• Tác giả: César Barrales-Martínez, Julio Caballero, Rocío Durán, Pablo Jaque
• Ngôn ngữ: eng
• Ký hiệu phân loại: 002.074 Museums, collections, exhibits
• Thông tin xuất bản: England : Dalton transactions (Cambridge, England : 2003) , 2025
• Bộ sưu tập: NCBI
• ID: 743708

Tóm tắt

We present a clear relationship between hydride affinity and the condensed-to-boron electrophilicity index for 27 intramolecular aminoborane frustrated Lewis pairs (FLPs), employing Density Functional Theory calculations. First, the Gibbs free energy change's dependence of H