We have designed new hydroborane fullerene-based pincer ligands of BH-(NCH₂PR₂)₂C₆₀, R = H, CH₃, tBu and Ph, and their metal complexes. It is found that the substitution of CH₃ and tBu for hydrogens of PH₂ in flanking arms of BH-(NCH₂PH₂)₂C₆₀ significantly increases the electrophilicity of the considered fullerene-based pincer ligands. The pincer-ligated metal complexes are obtained by the addition of transition metals to the pincer bites. Based on natural bonding orbital analysis (NBO), stability of the considered complexes can be attributed to competition of electron density from the donor moieties (LP orbitals of phosphorous atoms in flanking arms and LP of transition metals) to the acceptor moieties (the n* orbitals of transition metals and empty orbitals of borons).

我们设计了新的基于氢硼烷富勒烯的BH-（NCH ₂ PR ₂）₂ C ₆₀，R = H，CH ₃，tBu和Ph的钳位配体，以及它们的金属配合物。发现在BH-（NCH ₂ PH ₂）₂ C _60的侧臂中CH ₃和tBu取代了PH _2的氢显着提高了所考虑的基于富勒烯的钳形配体的亲电子性。通过将过渡金属添加到钳口中，可以得到连接钳的金属络合物。根据自然键合轨道分析（NBO），考虑的配合物的稳定性可归因于电子密度从供体部分（侧臂中磷原子的LP轨道和过渡金属的LP轨道）到受体部分（n *过渡金属的轨道和硼的空轨道）。