Supernova dual atlas diffractometer

The UV–visible spectrum (190–1100 nm) of 2 in DMSO at 20 °C was performed using a UV-6100 double beam spectrophotometer. The IR spectrum (400–4000 cm⁻¹) was recorded on an AIM-9000 Shimadzu spectrometer at 20 °C. The ¹H (500 MHz) and ¹³C NMR (125 MHz) spectra of compound 2 were recorded on a Bruker AV500 spectrometer in DMSO-d₆ at 20 °C. Single-crystal XRD data were collected on an Agilent SuperNova Dual Atlas diffractometer.

Single-crystal X-ray diffraction data for Mn-DOBDC MOF was collected on an Agilent SuperNova Dual Atlas diffractometer with a Mo source and a CCD detector. Data reduction and integration were performed using CrysAlisPro. PXRD patterns were collected on X'PertPro Panalytical Chiller 59 diffractometer using copper Kα (1.54 Å) radiation. The 2θ range to record diffraction pattern was from 5 to 40 degrees. A Shimadzu IR Affinitt-1S spectrometer was used to obtain IR spectra. Thermogravimetic analyses (TGA) were performed using a Perkin Elmer Pyris 1 TGA equipment. The temperature was increased from 25°C to 700°C at a heating rate of 5°C min⁻¹ under a flow of air (20 ml min⁻¹). Elemental analyses were performed using a FlashSmart NC ORG elemental analyser.
CO₂ adsorption experiments were performed on a Quantachrome Isorb-HP100 volumetric type sorption analyser. Samples were degassed at 150°C under vacuum for 10 h and then back-filled with helium gas, prior to CO₂ sorption studies. Sorption studies were performed at two selected temperatures, 273 and 298 K, over a pressure range of 0.5–15 bar. N₂ adsorption studies of prepared samples were conducted to analyse surface area and pore volume using a Quantachrome Nova 2200e at 77 K at a relative pressure of P/P^O = 0.05–1.0.