Spectroscopy — CO2-Sensitive Porous Magnet: Antiferromagnet Creation from a Paramagnetic Charge-Transfer Layered Metal-Organic Framework

2 measurement groups · 5 results

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

Activated crystals of compound 1 · Single Crystal

Transmission FT-IR through CaF2 windows; 100 kPa CO2; cooled from 300 to 195 K and heated from 270 to 290 K.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IR C-N bands for 1e-I state of 1-CO2	2186 and 2124 cm-1	—	—	Text Exact Reported	p005 · In Situ IR Spectroscopy · Figure 3
IR C-N bands for 2e-I state of 1	2184, 2156, 2063, and 2038 cm-1	—	—	Text Exact Reported	p005 · In Situ IR Spectroscopy · Figure 3

Activated crystals of compound 1 · Single Crystal

Raman spectra measured for 1 under air at STP and for 1-CO2 under 100 kPa CO2 at 240 K.

Temperature: 240 for CO2-loaded spectrum
Atmosphere: air at STP; 100 kPa CO2
Geometry: crystal/powder Raman sample not otherwise specified
Context: pristine and guest-loaded framework comparison
Measurement source: S32 · Raman spectra measurements for 1 and 1-CO2 · Figure S18

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Raman C=C bands for 1-CO2	1549 and 1403 cm-1 vs 1600, 1415, and 1328 cm-1 for 1	—	—	Text Exact Reported	S32 · Raman spectra measurements · Figure S18
Raman C-N bands for parent 1	2160 and 2069 cm-1	—	—	Text Exact Reported	S32 · Raman spectra measurements · Figure S18
Raman C-N bands for 1-CO2	2212 and 2151 cm-1	—	—	Text Exact Reported	S32 · Raman spectra measurements · Figure S18