化学
电子顺磁共振
钆
离子
炔烃
自旋(空气动力学)
密度泛函理论
吡啶
自旋密度
原子物理学
核磁共振
计算化学
凝聚态物理
物理
药物化学
催化作用
有机化学
热力学
生物化学
作者
Arnold M. Raitsimring,Chidambaram Gunanathan,А. И. Потапов,Irena Efremenko,Jan M. L. Martin,David Milstein,Daniella Goldfarb
摘要
Pulse electron−electron double resonance distance measurements between two high spin Gd3+ ions in a novel bis-Gd3+ complex involving two pyridine-based gadolinium tetracarboxylate systems linked by a rigid aryl−alkyne unit were carried out at Ka- and W-band frequencies. The experimental distance found was 2.02 ± 0.02 nm, and it was further compared with the Gd3+−Gd3+ distance (2.2126 nm) determined by density functional theory.
科研通智能强力驱动
Strongly Powered by AbleSci AI