Spectroscopy — Synthesis, characterization and solid state electrical properties of 1-D coordination polymer of the type [CuxNi1-x(dadb) ·yH2O]n

4 measurement groups · 16 results

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

Room-temperature X-band solid-state ESR/EPR spectroscopy

Electron paramagnetic resonance

Complex 4 powder / pressed pellet · Powder

Powder ESR spectra recorded on Varian E-112; microwave frequency calibrated using TCNE, g = 2.00277; Table 2 reports ESR parameters.

Temperature: room temperature
Atmosphere: not specified
Geometry: powder
Context: pristine coordination polymer powders
Measurement source: p002 · 2.3 Analysis and physical measurements

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ESR gav/giso, complex 2	gav/giso 2.097; g_parallel 2.203; g_perp 2.044; frequency 9.1 GHz; Href 3240 G	—	—	Table Exact Reported	p006 · 3.5 Magnetic moment and ESR spectral studies · Table 2
ESR gav/giso, complex 4	weak broad signal; gav/giso 2.091; frequency 9.1 GHz; Href 3382 G	—	—	Table Exact Reported	p006 · 3.5 Magnetic moment and ESR spectral studies · Table 2
ESR signal, complex 7	no distinct EPR/ESR signal in 2000-4000 G at 9.5 GHz	—	—	Text Qualitative	p006 · 3.5 Magnetic moment and ESR spectral studies · Fig. 5 / Table 2

FT-IR spectroscopy in KBr disc

Infrared spectroscopy

Complex 4 powder / pressed pellet · Powder

IR spectra recorded in KBr disc from 4000 to 400 cm-1 on VARIAN 3100 FT-IR; SI Table S1 reports selected bands.

Temperature: room temperature
Atmosphere: not specified
Geometry: KBr disc
Context: pristine coordination polymer powders
Measurement source: p002 · 2.3 Analysis and physical measurements

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Selected IR bands from SI Table S1	1: NH2 3308/3376, C=O 1667, C=C 1616, NH2 1580 cm-1; 2: OH 3470, NH 3282, C=O 1653, C=C 1542, NH2 1494; 4: OH 3446, NH 3324, C=O 1610, C=C/NH2 1519; 5: OH 3423, NH 3337, C=O 1611, C=C/NH2 1518; 3: OH 3404, NH 3317, C=O 1619, C=C/NH2 1515	—	—	SI Table Exact Reported	p001 · Table S1 · Table S1

Magnetic susceptibility / magnetic moment

Magnetometry and magnetic susceptibility

Complex 4 powder / pressed pellet · Powder

Powder magnetic susceptibility measured at room temperature on a Cahn-Faraday electrobalance using [Co(NCS)4Hg] reference; magnetic moments calculated from susceptibility.

Temperature: room temperature
Atmosphere: not specified
Geometry: powder
Context: pristine coordination polymer powders
Measurement source: p002 · 2.3 Analysis and physical measurements

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Observed magnetic moment, complex 2	mu_eff(obs) 1.63; mu_s(calc) 1.73	—	—	Table Exact Reported	p005 · 3.5 Magnetic moment and ESR spectral studies · Table 1
Observed magnetic moment, complex 3	mu_eff(obs) 2.55; mu_s(calc) 2.83	—	—	Table Exact Reported	p005 · 3.5 Magnetic moment and ESR spectral studies · Table 1
Observed magnetic moment, complex 4	mu_eff(obs) 3.19; mu_s(calc) 2.28	—	—	Table Exact Reported	p005 · 3.5 Magnetic moment and ESR spectral studies · Table 1
Observed magnetic moment, complex 5	mu_eff(obs) 3.58; mu_s(calc) 2.56	—	—	Table Exact Reported	p005 · 3.5 Magnetic moment and ESR spectral studies · Table 1
Observed magnetic moment, complex 6	mu_eff(obs) 3.75; mu_s(calc) 2.69	—	—	Table Exact Reported	p005 · 3.5 Magnetic moment and ESR spectral studies · Table 1
Observed magnetic moment, complex 7	mu_eff(obs) 3.64; mu_s(calc) 2.76	—	—	Table Exact Reported	p005 · 3.5 Magnetic moment and ESR spectral studies · Table 1

Solid-state electronic absorption spectroscopy

UV-visible and optical absorption spectroscopy

Complex 4 powder / pressed pellet · Powder

UV-visible electronic absorption spectra recorded in solid state as Nujol mulls on UV-1700 PHARMA SPEC.

Temperature: room temperature
Atmosphere: not specified
Geometry: Nujol mull
Context: pristine coordination polymer powders
Measurement source: p002 · 2.3 Analysis and physical measurements

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Electronic absorption bands	complex 2: 16500, 23100, 32051 cm-1	—	—	SI Table Exact Reported	p001 · Table S2 · Table S2
Electronic absorption bands	complex 3: 9260, 18416, 24450 cm-1	—	—	SI Table Exact Reported	p001 · Table S2 · Table S2
Electronic absorption bands	complex 4: 17857 shoulder; 20000-33000 broad envelope cm-1	—	—	SI Table Exact Reported	p001 · Table S2 · Table S2
Electronic absorption bands	complex 5: 17857 shoulder; 25000 broad shoulder; 28600 cm-1; 21053-33000 broad envelope	—	—	SI Table Exact Reported	p001 · Table S2 · Table S2
Electronic absorption bands	complex 6: 17699 shoulder, 24876, 26500, 29000 shoulder, 31350 cm-1	—	—	SI Table Exact Reported	p001 · Table S2 · Table S2
Electronic absorption bands	complex 7: 9524, 18182, 29000 cm-1 with shoulders 22727, 25000, 27000	—	—	SI Table Exact Reported	p001 · Table S2 · Table S2