D8 advance txs xrd

NMR spectrum was recorded on Bruker AMX-400 NMR spectrometer or Bruker AVANCE III HD600 600 MHz NMR instrument in deuterated solvent at room temperature. High-resolution mass spectrometry (HRMS) was performed on Bruker Daltonics ULTRAFLEXTREME MALDI-TOF/TOF mass spectrometer. UV-vis absorption and emission measurements were performed on a TU-1901 UV-vis spectrophotometer and a Perkin-Elmer LS 55 luminescence spectrometer, respectively. X-ray diffraction (XRD) measurements were carried out using Bruker D8 Advance TXS XRD with Cu Kα radiation at room temperature. Thermogravimetric analysis (TGA) and differential scanning calorimetric (DSC) measurements were conducted on TGA Q5000 V3.13 Build 261 instrument and Netzsch DSC 200 F3 under nitrogen at a heating and cooling rate of 5 °C min⁻¹, respectively. Emission quantum yields (Φ_F's) of BP2TPANs in solvents were estimated by using quinine sulfate (Φ_F = 54% in 0.1 N H₂SO₄) as standard, while solid-state efficiencies were determined using an integrating sphere. The ground-state geometries were optimized using the density functional with B3LYP hybrid functional at the basis set level of 6-31G(d). All calculation were performed using the Gaussian 09 package.