Spectroscopy — Multifunctional coordination polymers based on copper(i) and mercaptonicotinic ligands: Synthesis, and structural, optical and electrical characterization

6 measurement groups · 15 results

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

FTIR spectroscopy using KBr pellets

Infrared spectroscopy

CP1 orange solid from method A · Powder

PerkinElmer Spectrum BX spectrometer, 4000-400 cm^-1

Geometry: KBr pellet
Context: pristine CP1
Measurement source: 4, 7 · Results and discussion; Experimental · Fig. S15-S16

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=O stretching band	1671 cm^-1	1671 cm^-1	—	Text Exact Reported	4 · Results and discussion · Fig. S15-S16

solid-state UV/vis/NIR absorption and emission spectroscopy

UV-visible and optical absorption spectroscopy

CP1 gently crushed powder · Powder

absorption from Kubelka-Munk converted reflectance; emission spectra at room temperature and 77 K, excitation at 400 nm in Fig. 5; lifetime by TCSPC with pulsed NanoLED excitation

Temperature: room temperature and 77
Atmosphere: liquid nitrogen immersion for 77 K capillary measurements
Geometry: gently crushed powder between quartz slides or in quartz capillary
Context: pristine CP1
Measurement source: 4-5, 7 · Optical characterization; Experimental · Fig. 5; Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
solid-state absorption onset	onset up to 550-600 nm	—	—	Text Range	4 · Optical characterization · Fig. 5
emission maximum at 77 K	692 nm	692 nm	estimated errors are 2 nm on emission peaks	SI Table Exact Reported	15 · Luminescence data · Table S5
excited-state lifetime at 77 K	4.1 us	4.1 us	estimated errors are 10% on lifetimes	SI Table Exact Reported	15 · Luminescence data · Table S5
optical band gap from visible spectra	around 1.7 eV	1.7 eV	—	Text Approximate	5 · Electrical characterization · Fig. 5

FTIR spectroscopy using KBr pellets

Infrared spectroscopy

CP2 orange/red crystals · Single Crystal

PerkinElmer Spectrum BX spectrometer, 4000-400 cm^-1

Geometry: KBr pellet
Context: pristine CP2
Measurement source: 4, 7 · Results and discussion; Experimental · Fig. S15-S16

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=O stretching band	1731 cm^-1	1731 cm^-1	—	Text Exact Reported	4 · Results and discussion · Fig. S15-S16

solid-state UV/vis/NIR absorption and emission spectroscopy

UV-visible and optical absorption spectroscopy

CP2 gently crushed powder · Powder

absorption from Kubelka-Munk converted reflectance; emission spectra at room temperature and 77 K, excitation at 400 nm in Fig. 5; lifetime by TCSPC with pulsed NanoLED excitation

Temperature: room temperature and 77
Atmosphere: liquid nitrogen immersion for 77 K capillary measurements
Geometry: gently crushed powder between quartz slides or in quartz capillary
Context: pristine CP2
Measurement source: 4-5, 7 · Optical characterization; Experimental · Fig. 5; Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
emission maximum at 77 K	622 nm	622 nm	estimated errors are 2 nm on emission peaks	SI Table Exact Reported	15 · Luminescence data · Table S5
emission maximum at room temperature	620 nm	620 nm	estimated errors are 2 nm on emission peaks	SI Table Exact Reported	15 · Luminescence data · Table S5
excited-state lifetime at 77 K	3.6 us	3.6 us	estimated errors are 10% on lifetimes	SI Table Exact Reported	15 · Luminescence data · Table S5
excited-state lifetime at room temperature	2.7 us	2.7 us	estimated errors are 10% on lifetimes	SI Table Exact Reported	15 · Luminescence data · Table S5
absolute emission quantum yield detection limit	below limit of detection, i.e. 2%	0.02 fraction	—	Text Approximate	4 · Optical characterization · footnote

FTIR spectroscopy using KBr pellets

Infrared spectroscopy

CP3 yellow crystals from method A · Single Crystal

PerkinElmer Spectrum BX spectrometer, 4000-400 cm^-1

Geometry: KBr pellet
Context: pristine CP3
Measurement source: 4, 7 · Results and discussion; Experimental · Fig. S15-S16

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=O stretching bands	1706 and 1685 cm^-1	—	—	Text Exact Reported	4 · Results and discussion · Fig. S15-S16
S-S stretching band	764 cm^-1	764 cm^-1	—	Text Exact Reported	4 · Results and discussion · Fig. S15-S16

solid-state UV/vis/NIR absorption and emission spectroscopy

UV-visible and optical absorption spectroscopy

CP3 gently crushed powder · Powder

absorption from Kubelka-Munk converted reflectance; emission spectra at room temperature and 77 K, excitation at 400 nm in Fig. 5; lifetime by TCSPC with pulsed NanoLED excitation

Temperature: room temperature and 77
Atmosphere: liquid nitrogen immersion for 77 K capillary measurements
Geometry: gently crushed powder between quartz slides or in quartz capillary
Context: pristine CP3
Measurement source: 4-5, 7 · Optical characterization; Experimental · Fig. 5; Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
emission maximum at 77 K	624 nm	624 nm	estimated errors are 2 nm on emission peaks	SI Table Exact Reported	15 · Luminescence data · Table S5
excited-state lifetime components at 77 K	2.6 us (50%), 11.4 us (50%)	—	estimated errors are 10% on lifetimes	SI Table Exact Reported	15 · Luminescence data · Table S5