Negative linear compressibility from helix in zinc carbodiimide

IF 3.5 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Dalton Transactions Pub Date : 2025-03-10 DOI:10.1039/d5dt00453e

Chengxi Li, Qiulin Chen, Guohao Zhang, Gaofeng Zhang, Qingxin Zeng, Jian Hao, Yinwei Li

引用次数: 0

Abstract

Zinc carbodiimide, Zn(CN2), exhibits negative linear compressibility (NLC) along the c-axis under hydrostatic pressure. Density functional theory calculations indicates that at high pressures, the shrinkages of the a and b-axes narrow but elongate the infinite -Zn-N-C-N- helices chains through inter-chain Zn-N bonds, leading to the expansion of the crystal along the c-axis.

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来源期刊

Dalton Transactions 化学-无机化学与核化学

CiteScore

6.60

自引率

7.50%

发文量

1832

审稿时长

1.5 months

期刊介绍： Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.