Blending of various chemical bonds with different strengths within a framework is expected to induce some anomalous physical properties.Herein,a novel metal squarate framework containing covalent bonds,coordination bo...Blending of various chemical bonds with different strengths within a framework is expected to induce some anomalous physical properties.Herein,a novel metal squarate framework containing covalent bonds,coordination bonds and hydrogen bonds was synthesized and it showed a uniaxial negative thermal expansion(NTE).A combination of in situ powder/single-crystal X-ray diffraction,Raman spectroscopy and density-functional theory(DFT)calculations revealed that this anomalous thermal expansion originates from a hydrogen bond-triggered wine-rack-like distortion.This study can provide a new strategy for the rational design of hybrid NTE compounds.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.22005340).
文摘Blending of various chemical bonds with different strengths within a framework is expected to induce some anomalous physical properties.Herein,a novel metal squarate framework containing covalent bonds,coordination bonds and hydrogen bonds was synthesized and it showed a uniaxial negative thermal expansion(NTE).A combination of in situ powder/single-crystal X-ray diffraction,Raman spectroscopy and density-functional theory(DFT)calculations revealed that this anomalous thermal expansion originates from a hydrogen bond-triggered wine-rack-like distortion.This study can provide a new strategy for the rational design of hybrid NTE compounds.
