Chloride carbodiimide K12Pb51(CN2)30Cl54 with an unprecedented 45 Å unit cell axis and a large birefringence

Xianghe Meng; Fei Liang; Wenlong Yin; Zheshuai Lin; Mingjun Xia

doi:10.1039/C9NJ01298B

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Chloride carbodiimide K₁₂Pb₅₁(CN₂)₃₀Cl₅₄ with an unprecedented 45 Å unit cell axis and a large birefringence†

Xianghe Meng,^ab Fei Liang,

^ab Wenlong Yin,*^c Zheshuai Lin^a and Mingjun Xia

*^a

Author affiliations

* Corresponding authors

^a Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
E-mail: xiamingjun@mail.ipc.ac.cn

^b University of Chinese Academy of Sciences, Beijing 100049, China

^c Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900, China
E-mail: wlyin@caep.cn

Abstract

A novel chloride carbodiimide, K₁₂Pb₅₁(CN₂)₃₀Cl₅₄ (1), was successfully synthesized by solid state metathesis reaction. It exhibits the longest unit cell value reported among all known carbodiimides, caused by the superhelical configuration of the stereochemically active lone pair (SALP) Pb²⁺ cations rotating along the c axis. In addition, 1 has a large birefringence of 0.094 at 1064 nm resulting from the synergistic effect of SALP Pb²⁺ cations and linear (CN₂)²⁻ groups based on first principles calculation.

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Article information

DOI: https://doi.org/10.1039/C9NJ01298B
Article type: Letter
Submitted: 12 Mar 2019
Accepted: 28 May 2019
First published: 30 May 2019

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New J. Chem., 2019,43, 9766-9770

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Chloride carbodiimide K₁₂Pb₅₁(CN₂)₃₀Cl₅₄ with an unprecedented 45 Å unit cell axis and a large birefringence

X. Meng, F. Liang, W. Yin, Z. Lin and M. Xia, New J. Chem., 2019, 43, 9766 DOI: 10.1039/C9NJ01298B

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