Linear Coordination Fullerene C60 Polymer [{Ni(Me3P)2}(渭-畏2,畏2-C60)]鈭?/sub> Bridged by Zerovalent Nickel Atoms
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- 作者：Dmitri V. Konarev ; Salavat S. Khasanov ; Yoshiaki Nakano ; Akihiro Otsuka ; Hideki Yamochi ; Gunzi Saito ; Rimma N. Lyubovskaya
- 刊名：Inorganic Chemistry
- 出版年：2014
- 出版时间：November 17, 2014
- 年：2014
- 卷：53
- 期：22
- 页码：11960-11965
- 全文大小：376K
- ISSN：1520-510X
文摘
Coordination nickel-bridged fullerene polymer [{Ni(Me3P)2}(渭-畏2,畏2-C60)]鈭?/sub> (1) has been obtained via reduction of a NiII(Me3P)2Cl2 and C60 mixture. Each nickel atom is linked in the polymer with two fullerene units by 畏2-type Ni鈥揅(C60) bonds of 2.087(8)鈥?.149(8) 脜 length. Nickel atoms are coordinated to the 6鈥? bonds of C60 as well as two trimethylphosphine ligands to form a four-coordinated environment around the metal centers. Fullerene cages approach very close to each other in the polymer with a 9.693(3) 脜 interfullerene center-to-center distance, and two short interfullerene C鈥揅 contacts of 2.923(7) 脜 length are formed. Polymer chains are densely packed in a crystal with interfullerene center-to-center distances between fullerenes from neighboring polymer chains of 9.933(3) 脜 and multiple interfullerene C路路路C contacts. As a result, three-dimensional dense fullerene packing is formed in 1. According to optical and electron paramagnetic resonance spectra, fullerenes are neutral in 1 and nickel atoms have a zerovalent state with a diamagnetic d10 electron configuration. The density functional theory calculations prove the diamagnetic state of the polymer with a singlet鈥搕riplet gap wider than 1.37 eV.