Spectroscopy — One‐Pot hydrothermal synthesis of 1D copper (II) coordination polymers involving in-situ decarboxylation

5 measurement groups · 14 results

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

FT-IR spectroscopy using KBr pellets, PerkinElmer RX-1, 4000-400 cm^-1.

Infrared spectroscopy

CP 1 dark blue crystals · Single Crystal

IR analysis of isolated CP 1.

Context: pristine framework crystal
Measurement source: main p.2 · 2.2. Synthesis of coordination polymers

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CP 1 reported IR bands	3444 (m,b), 1633 (s), 1605 (s), 1351 (s), 1152 (m), 695 (m), 548 (w), 460 (m) cm^-1	—	—	Text Exact Reported	main p.6 · 3.4. IR spectra
CP 1 isolated yield based on Cu	43% yield based on Cu	—	—	Text Exact Reported	main p.2 · 2.2. Synthesis of coordination polymers

Solid-state photoluminescence using Agilent Cary Eclipse fluorescence spectrophotometer.

Photoluminescence and fluorescence spectroscopy

CP 1 dark blue crystals · Single Crystal

Room-temperature solid-state excitation/emission measurement.

Context: pristine framework crystal
Measurement source: main p.6 · 3.6. Photoluminescence properties · Figure 5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CP 1 maximum emission wavelengthMarked as a best value within this paper	600 nm upon excitation at 300 nm	—	—	Text Exact Reported	main p.6 · 3.6. Photoluminescence properties · Figure 5
CP 1 emission red-shift versus 2-Hpyc and 2,6-pydc	about 155 and 230 nm	—	—	Text Approximate	main p.6 · 3.6. Photoluminescence properties · Figure 5

FT-IR spectroscopy using KBr pellets, PerkinElmer RX-1, 4000-400 cm^-1.

Infrared spectroscopy

CP 2 green crystals · Single Crystal

IR analysis of isolated CP 2.

Context: pristine framework crystal
Measurement source: main p.2 · 2.2. Synthesis of coordination polymers

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CP 2 reported IR bands	3422 (m,b), 1144 (vs), 1108 (vs), 618 (s), 429 (m) cm^-1	—	—	Text Exact Reported	main p.6 · 3.4. IR spectra
CP 2 isolated yield based on CuMarked as a best value within this paper	55% yield based on Cu	—	—	Text Exact Reported	main p.2 · 2.2. Synthesis of coordination polymers

Solid-state photoluminescence using Agilent Cary Eclipse fluorescence spectrophotometer.

Photoluminescence and fluorescence spectroscopy

CP 2 green crystals · Single Crystal

Room-temperature solid-state excitation/emission measurement.

Context: pristine framework crystal
Measurement source: main p.6 · 3.6. Photoluminescence properties · Figure 6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CP 2 maximum emission wavelength	595 nm under excitation of 298 nm	—	—	Text Exact Reported	main p.6 · 3.6. Photoluminescence properties · Figure 6
CP 2 emission red-shift versus 1,10-phen	about 51 nm	—	—	Text Approximate	main p.6 · 3.6. Photoluminescence properties · Figure 6

GC-MS analysis using a TR5MS column after conversion of solution-phase compounds to methyl esters.

Post-reaction aqueous solution after crystal separation · Unknown

Helium carrier gas 1.0 mL/min; ion source 280 C; pulsed split ratio 10; injector 240 C; oven 50 C held 2.67 min then 15 C/min to 280 C held 12 min; EI 70 eV; sample volume 1 uL in methanol.

Atmosphere: Helium carrier gas
Context: Post-reaction solution-phase analysis supporting in situ ligand decarboxylation.
Measurement source: main p.2 · 2.3. In situ hydrothermal decarboxylation · Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
GC-MS observed 2,6-pyridinedicarboxylic acid dimethyl ester	2,6-pyridinedicarboxylic acid dimethyl ester observed in the solution phase	—	—	Text Qualitative	main p.4 · 3.3. In situ hydrothermal decarboxylation and formation · Scheme 4 and Figure S1
GC-MS observed 2-pyridinecarboxylic acid methyl ester	2-pyridinecarboxylic acid methyl ester observed in the solution phase	—	—	Text Qualitative	main p.4 · 3.3. In situ hydrothermal decarboxylation and formation · Scheme 4 and Figure S1
GC-MS retention time for 2,6-pyridinedicarboxylic acid dimethyl ester assignment	RT approximately 15.67 min in Figure S1 mass spectrum labelled 2,6-pyridinedicarboxylic acid, dimethyl ester	—	—	Figure Axis Approximate	SI rendered p.3 · Supplementary Information · Figure S1
GC-MS retention time for sulfuric acid dimethyl ester assignment	RT approximately 8.19 min in Figure S1 mass spectrum labelled sulfuric acid dimethyl ester	—	—	Figure Axis Approximate	SI rendered p.2 · Supplementary Information · Figure S1
GC-MS retention time for 2-pyridinecarboxylic acid methyl ester assignment	RT approximately 12.17 min in Figure S1 mass spectrum labelled 2-pyridinecarboxylic acid, methyl ester	—	—	Figure Axis Approximate	SI rendered p.3 · Supplementary Information · Figure S1
GC-MS observed sulfuric acid dimethyl ester	sulfuric acid dimethyl ester observed in the solution phase	—	—	Text Qualitative	main p.4 · 3.3. In situ hydrothermal decarboxylation and formation · Scheme 4 and Figure S1