Spectroscopy — Redox Ladder of Ni3 Complexes with Closed-Shell, Mono-, and Diradical Triphenylene Units: Molecular Models for Conductive 2D MOFs

3 measurement groups · 11 results

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

complex 2 dark blue needle-shaped crystals · Single Crystal

Frozen DCM glasses at 4.5 K; perpendicular and parallel modes; variable-temperature EPR for complex 2 from 4.5-45 K.

Temperature: 4.5
Atmosphere: frozen glass
Geometry: ER4119HS perpendicular resonator or E4116000 dual-mode parallel resonator
Context: model_system
Measurement source: p004 / article p.23787 · Results and Discussion · Figure 4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
complex 1 parallel-mode EPR high-g signalMarked as a best value within this paper	g = 15.14	—	—	Text Exact Reported	p003-p004 / article pp.23786-23787 · Results and Discussion · Figure 4a
complex 2 intense perpendicular EPR peakMarked as a best value within this paper	1390 G (g = 4.82)	—	—	Text Exact Reported	p004 / article p.23787 · Results and Discussion · Figure 4b
complex 3 X-band EPR response	EPR-silent in perpendicular and parallel modes at X-band	—	—	Text Qualitative	p004 / article p.23787 · Results and Discussion · Figure 4
complex 2 calculated ground-state g-values	[2.21, 4.94, 4.94] for ground state at 0 cm-1	—	—	SI Table Exact Reported	SI p016 / printed p.15 · Spin excited states and corresponding g-values calculated for 2 · Table S2

complex 2 dark blue needle-shaped crystals · Single Crystal

Powdered samples measured inside a nitrogen-filled glovebox.

Atmosphere: nitrogen-filled glovebox
Geometry: ATR powder measurement
Context: model_system
Measurement source: SI p011 / printed p.10 · Absorption Spectroscopic Measurements · Figure S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C-O-based stretching band for complex 1	1310 cm-1	—	—	Text Rounded Reported	p002 / article p.23785 · Results and Discussion · Figure S7
C-O-based stretching band for complex 2	1331 cm-1	—	—	Text Rounded Reported	p002 / article p.23785 · Results and Discussion · Figure S7
C-O-based stretching band for complex 3	1341 cm-1	—	—	Text Rounded Reported	p002 / article p.23785 · Results and Discussion · Figure S7

complex 2 dark blue needle-shaped crystals · Single Crystal

Dichloromethane solutions in a home-made Schlenk cuvette at room temperature under nitrogen; solvent/cuvette blank correction.

Temperature: room temperature
Atmosphere: nitrogen
Geometry: Schlenk cuvette
Context: model_system
Measurement source: SI p010 / printed p.9 · Absorption Spectroscopic Measurements · Figure S6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
crude mixture extra absorption feature	around 744 nm	—	—	Text Approximate	SI p010 / printed p.9 · Absorption Spectroscopic Measurements · Figure S6b
lowest-energy absorption maximum for complex 1	1386 nm	—	—	Text Rounded Reported	p002 / article p.23785 · Results and Discussion · Figure S6a
lowest-energy absorption maximum for complex 2	1196 nm	—	—	Text Rounded Reported	p002 / article p.23785 · Results and Discussion · Figure S6a
lowest-energy absorption maximum for complex 3	1114 nm	—	—	Text Rounded Reported	p002 / article p.23785 · Results and Discussion · Figure S6a