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

Measurement evidence

Other

Redox Ladder of Ni3 Complexes with Closed-Shell, Mono-, and Diradical Triphenylene Units: Molecular Models for Conductive 2D MOFs · Yang L., Dinca M. · Angewandte Chemie - International Edition · 2021 · 23784-23789

3 measurement groups · 17 results

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

Magnetometry with Quantum Design Dynacool D-209 PPMS/VSM; PHI fitting

complex 2 dark blue needle-shaped crystals · Single Crystal

Microcrystalline powders restrained in eicosane inside sealed NMR tubes; susceptibility at 1.0 kOe from 1.8-295 K; magnetisation at 1.8 K over +/-90 kOe; diamagnetic corrections applied.

Temperature
1.8-295
Atmosphere
samples sealed under vacuum
Geometry
powders in eicosane inside NMR tubes
Context
model_system
Measurement source
SI p012 / printed p.11 · Details on Magnetic Measurements and Fitting · Figures 3 and S8
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
chi_M T for complex 1 at 293 K5.36 cm3 mol-1 K at 293 KText
Exact Reported
p003 / article p.23786 · Results and Discussion · Figure 3a
maximum chi_M T for complex 1Marked as a best value within this paper9.04 cm3 mol-1 K at 15 KText
Exact Reported
p003 / article p.23786 · Results and Discussion · Figure 3a
chi_M T for complex 2 at 293 K4.35 cm3 mol-1 K at 293 KText
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3a
maximum chi_M T for complex 2Marked as a best value within this paper4.62 cm3 mol-1 K near 25 KText
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3a
chi_M T for complex 3 at 1.8 K0.93 cm3 mol-1 K at 1.8 KText
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3a
chi_M T for complex 3 at 293 K3.38 cm3 mol-1 K at 293 KText
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3a
complex 1 J1 Ni-Ni exchangeJ1 = +7.0 cm-1Text
Exact Reported
p003 / article p.23786 · Results and Discussion · Figure 3
complex 2 J1 exchangeJ1 = -6.4 cm-1Text
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3
complex 3 J1 exchangeJ1 = -0.4 cm-1Text
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3
complex 2 J2 exchangeJ2 = +12.5 cm-1Text
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3
complex 1 J4 radical-radical exchangeJ4 = -64.0 cm-1Text
Exact Reported
p003 / article p.23786 · Results and Discussion · Figure 3
complex 1 reduced magnetization saturationMarked as a best value within this paper6.94 B.M. above 20 kOe at 1.8 KText
Exact Reported
p003 / article p.23786 · Results and Discussion · Figure 3b
complex 1 spin ground stateMarked as a best value within this paperS = 3Text
Exact Reported
p003 / article p.23786 · Results and Discussion · Figure 3
complex 2 overall spin ground stateMarked as a best value within this paperS = 3/2Text
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3
complex 3 spin ground stateMarked as a best value within this paperS = 1Text
Exact Reported
p004 / article p.23787 · Results and Discussion · Figure 3

Positive-ion ESI-MS, Agilent 6545 HRMS with Agilent Infinity 1260 LC

crude [(Me3TPANi)3(HOTP)](BF4)n mixture · Unknown

Methanol solutions of analytes.

Context
model_system
Measurement source
SI p005 / printed p.4 · Mass Spectrometry Studies · Figure S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
ESI-MS conclusion for crude mixtureESI-MS only proves presence of [(Me3TPANi)3(HOTP)]n+ cationText
Qualitative
SI p005 / printed p.4 · Mass Spectrometry Studies · Figure S1

Variable-temperature-variable-field magnetization (VTVH)

complex 1 dark green ribbon-shaped crystals · Single Crystal

Complex 1 measured from 1.8-10 K under constant magnetic fields of 10, 20, 30, 40, 50, 60 and 70 kOe; fit to S = 3 Hamiltonian.

Temperature
1.8-10
Atmosphere
sample sealed under vacuum
Geometry
powder in eicosane inside NMR tube
Context
model_system
Measurement source
SI p013 / printed p.12 · Variable-temperature-variable-field magnetization measurement of 1 · Figure S9
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
complex 1 VTVH average ggavg = 2.30Text
Exact Reported
SI p013 / printed p.12 · VTVH measurement of 1 · Figure S9