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Updated: Feb 14, 2026

Sandwich-like Microenvironments to Harness Cell/Material Interactions
Published on: August 4, 2015
Butadiene as a ligand in open sandwich compounds
Qunchao Fan1, Jia Fu, Huidong Li
1School of Science, Key Laboratory of High Performance Scientific Computation, Xihua University, Chengdu 610039, China. fenghao@mail.xhu.edu.cn.
Abstract:
Theoretical methods show that the lowest energy bis(butadiene)metal structures (C4H6)2M (M = Ti to Ni) have a perpendicular relative orientation of the two butadiene ligands corresponding to a tetrahedral coordination of the central metal atom to the four C[double bond, length as m-dash]C double bonds of the butadiene ligands. Distribution of the metal d electrons in the resulting tetrahedral ligand field rationalizes the predicted spin states increasing monotonically from singlet to quartet from nickel to manganese and back from quartet to singlet from manganese to titanium.
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