Pi Stacking Interactions in Two TPT Derivatives and Their Photoluminescence Characters

π-π Stacking in the 2,4,6-tris（4-pyridyl）-1,3,5-triazine aromatic nitrogen-containing ligand and its metal-ligand complex Zn（TPT）2（H2O）4（OH）2 1 has been investigated by single-crystal X-ray diffraction analyses. The stacking mode of the ligand changes from the offset conformation to a perfect face-to-face alignment with the coordination to the zinc centers. The structure features are correlated with their solid-state luminescence properties. With excitation at 360 nm, free TPT ligand gives a strong fluorescent emission at 455 nm and the ligand-centered emission of the metal-ligand complex occurs at the same wavelength with lower emission intensity. The distance between the aromatic rings responds to the difference of luminescence characters.

Effect of temperature on tensile and vibration properties of bilayer boron nitride

Hexagonal boron nitride(h‐BN)is a semiconductor material with a wide band gap,holding promising potential for applications in thermal conductivity devices and nanoresonators in the field of microelectronics.Here,molecular dynamics is simulated to investigate the tensile and vibrational behaviors of bilayer h‐BN under five different stacking modes across varying temperatures.The mechanical properties of five different stacking modes of h‐BN at various temperatures are focused on,including Young's modulus,the ultimate stress,and the ultimate strain.Results indicate that bilayer h‐BN nanosheets exhibit anisotropic characteristics,with their tensile properties decreasing as temperature increases.Additionally,we explore the influence of temperature on the natural frequency of bilayer h‐BN under five different stacking modes.These results establish a fundamental understanding of the mechanical and vibrational characteristics of bilayer h‐BN nanosheets under different stacking modes,contributing to their potential applications in advanced nanodevices operating in extremely high‐temperature environments.