Spectroscopy — Growth and Characterisation of Copper Complex of 2, 4, 6-Trioxypyrimidine: A Novel Luminescent and Active Pharmaceutical Material in Metal Organic Framework

3 measurement groups · 12 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

FTIR spectroscopy using KBr pellets on Thermo Nicolet Avatar 370 spectrometer

Infrared spectroscopy

Grown emerald coloured CuB single crystal · Single Crystal

4000-400 cm^-1 range; 4 cm^-1 resolution.

Context: Pristine CuB crystal
Measurement source: 427 · 2.2 Characterisation · Figure 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-O coordination band	476 cm^-1	—	—	Text Exact Reported	428 · 3.2 FT-IR Spectral Analysis · Figure 2
OH stretching vibration of coordinated water	3408 cm^-1	—	—	Text Exact Reported	428 · 3.2 FT-IR Spectral Analysis · Figure 2

Photoluminescence spectroscopy using Horiba USA Fluorolog 3 TCSPC with 450 W xenon arc lamp

Photoluminescence and fluorescence spectroscopy

Grown emerald coloured CuB single crystal · Single Crystal

PL emission recorded over 350-700 nm at excitation wavelength 320 nm; CIE chromaticity calculated from the emission.

Context: Pristine CuB crystal
Measurement source: 433 · 3.7 Photoluminescence · Figures 14-15

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CIE chromaticity x coordinate	approximately 0.17 from Figure 15	—	visual estimate +/-0.02	Visual Estimate Approximate	433 · 3.7 Photoluminescence · Figure 15
CIE chromaticity y coordinate	approximately 0.21 from Figure 15	—	visual estimate +/-0.02	Visual Estimate Approximate	433 · 3.7 Photoluminescence · Figure 15
PL excitation wavelength	320 nm	—	—	Text Exact Reported	433 · 3.7 Photoluminescence · Figure 14
Maximum PL emission wavelengthMarked as a best value within this paper	435 nm	—	—	Text Exact Reported	433 · 3.7 Photoluminescence · Figure 14
PL shoulder wavelength	514 nm	—	—	Text Exact Reported	433 · 3.7 Photoluminescence · Figure 14

UV-Vis NIR absorption/reflectance spectroscopy using Varian Cary 5000

UV-visible and optical absorption spectroscopy

Grown emerald coloured CuB single crystal · Single Crystal

Reported instrument range 200-2000 nm; optical band gap, extinction coefficient, refractive index, and optical conductivity calculated from spectra/reflectance.

Context: Pristine CuB crystal
Measurement source: 427 · 2.2 Characterisation · Figures 9-13

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optical band gap from Tauc plotMarked as a best value within this paper	1.57 eV	—	—	Text Exact Reported	432 · 3.6 UV-Vis NIR Spectral Studies · Figure 10
Band gap range inferred from extinction coefficient graph	1.54-2.42 eV	—	—	Text Range	433 · 3.6 UV-Vis NIR Spectral Studies · Figure 11
Refractive index corresponding to 1.57 eV band gap	1.367	—	—	Text Exact Reported	433 · 3.6 UV-Vis NIR Spectral Studies · Figure 12
Absorption charge-transfer peak	348 nm	—	—	Text Exact Reported	432 · 3.6 UV-Vis NIR Spectral Studies · Figure 9
d-d transition absorption band	521-913 nm, focus at 776 nm	—	—	Text Range	432 · 3.6 UV-Vis NIR Spectral Studies · Figure 9