1. Development of an FeII Complex Exhibiting Intermolecular Proton Shifting Coupled Spin Transition.
- Author
-
Ji, Tianchi, Su, Shengqun, Wu, Shuqi, Hori, Yuta, Shigeta, Yasuteru, Huang, Yubo, Zheng, Wenwei, Xu, Wenhuang, Zhang, Xiaopeng, Kiyanagi, Ryoji, Munakata, Koji, Ohhara, Takashi, Nakanishi, Takumi, and Sato, Osamu
- Subjects
- *
SPIN crossover , *PROTONS , *DENSITY functional theory , *HYDROGEN bonding , *INFRARED spectroscopy , *PHASE shift (Nuclear physics) , *INTRAMOLECULAR proton transfer reactions - Abstract
In this study, we investigated reversible intermolecular proton shifting (IPS) coupled with spin transition (ST) in a novel FeII complex. The host FeII complex and the guest carboxylic acid anion were connected by intermolecular hydrogen bonds (IHBs). We extended the intramolecular proton transfer coupled ST phenomenon to the intermolecular system. The dynamic phenomenon was confirmed by variable‐temperature single‐crystal X‐ray diffraction, neutron crystallography, and infrared spectroscopy. The mechanism of IPS was further validated using density functional theory calculations. The discovery of IPS‐coupled ST in crystalline molecular materials provides good insights into fundamental processes and promotes the design of novel multifunctional materials with tunable properties for various applications, such as optoelectronics, information storage, and molecular devices. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF