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대한화학회 제124회 학술발표회 및 총회 Low valent ferrocenes: stabilization by N-heterocyclic carbene-modified cyclopentadienyl ligands

등록일
2019년 8월 29일 15시 09분 37초
접수번호
1840
발표코드
INOR.O-10 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 10시 : 30분
발표형식
구두발표
발표분야
Inorganic Chemistry - Oral Presentation of Young Inorganic Chemistry
저자 및
공동저자
Hayoung Song, Eunsung Lee1,*
Center for Self-Assembly and Complexity (CSC), Institute for Basic Science (IBS), Korea
1Department of Chemistry, Pohang University of Science and Technology, Korea

N-heterocyclic carbene-functionalized ferrocenes (NHC-Fcs) are obtained by oxidative nucleophilic substitution of ferrocenium with NHCs. The NHC-Fcs show a metal-to-ligand charge-transfer (MLCT) transition from iron to empty p-orbital of NHCs. The electrochemical properties of NHC-Fcs confirm the quasi-reversible NHC-Fc/[NHC-Fc]•– cycle indicating the feasibility of low valent ferrocene species. Here, we report the first low valent ferrocene stabilized by NHC-functionalized cyclopentadienyl ligands (NHC-Cps), which is not accessible with simple ferrocene. Theoretical studies on these low valent ferrocenes clearly demonstrate the origin of their thermodynamic stability based on the orbital interaction between iron and NHC-Cp. Interestingly, the NHC-Fc can be applied for the redox-flow battery as an anolyte. These low valent ferrocene species will deepen our understanding of electrochemical behaviors of ferrocenes and open the way to a rational design of low valent ferrocene derivatives.

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