化学
阳离子聚合
级联
计算化学
钥匙(锁)
组合化学
立体化学
有机化学
计算机科学
计算机安全
色谱法
作者
Gregory Ho,Dustin H. Nouri,Dean J. Tantillo
摘要
W. S. Johnson's total synthesis of the sesquiterpenoid longifolene is a classic example of the power of cationic polycyclizations for constructing complex molecular architectures. Herein we revisit the key polycyclization step of this synthesis using hybrid Hartree-Fock/density functional theory calculations and validate the feasibility of Johnson's proposed mechanism. We also explore perturbations to the 3-center 2-electron bonding array in a key intermediate that result from changing the polycyclic framework in which it is embedded.
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