cMOF Evidence Base
Spectroscopy — 1-Hydroxybenzotriazole (HOBt) acidity, formation constant with different metals and thermodynamic parameters: Synthesis and characterization of some HOBt metal complexes - Crystal structures of two polymers: [Cu2(H2O)5(OBt)2(μ-OBt)2] · 2H2O · EtOH (1A) and [Cu(μ-OBt)(HOBt)(OBt)(EtOH)] (1B)

Measurement evidence

Spectroscopy

1-Hydroxybenzotriazole (HOBt) acidity, formation constant with different metals and thermodynamic parameters: Synthesis and characterization of some HOBt metal complexes - Crystal structures of two polymers: [Cu2(H2O)5(OBt)2(μ-OBt)2] · 2H2O · EtOH (1A) and [Cu(μ-OBt)(HOBt)(OBt)(EtOH)] (1B) · Hammud H.H., Holman K.T., Masoud M.S. et al. · Inorganica Chimica Acta · 2009 · 3526-3540

15 measurement groups · 68 results

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

FTIR spectroscopy, KBr pellet

Infrared spectroscopy

[Co(OBt)2(HOBt)2(H2O)2] pressed tablet · Pellet

200-4000 cm^-1; selected diagnostic bands reported in supplementary Table III.

Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table III
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
v CC1614.3——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v H2O3432.1——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MO380——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MOH2790.8——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v OH3232.5——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v ON1375.2——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III

FTIR spectroscopy, KBr pellet

Infrared spectroscopy

[Cu(gly)2] . H2O blue control · Powder

200-4000 cm^-1; selected diagnostic bands reported in supplementary Table III.

Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table III
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
v H2O3265.3——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MN586.3——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MO397——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v NH3161.1——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III

FTIR spectroscopy, KBr pellet

Infrared spectroscopy

[Cu(gly)(OBt)(H2O)] sea-green solid · Powder

200-4000 cm^-1; selected diagnostic bands reported in supplementary Table III.

Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table III
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
v CC1614.4——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v H2O3564.2——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MN586.3——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MO382——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MOH2767.6——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v NH3564.2——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v OH disappeareddisap.——SI Table
Qualitative		rendered SI p001-p003 · Supplementary material · Table III
v ON1379——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III

FTIR spectroscopy, KBr pellet

Infrared spectroscopy

[Cu(OBt)2(H2O)2] pressed tablet · Pellet

200-4000 cm^-1; selected diagnostic bands reported in supplementary Table III.

Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table III
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
v CC1602.7——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v H2O3475.5——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MO387——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MOH2783——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v OH disappeareddisap.——SI Table
Qualitative		rendered SI p001-p003 · Supplementary material · Table III
v ON1384.8——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III

FTIR spectroscopy, KBr pellet

Infrared spectroscopy

[Cu(OBt)(H2O)2(Cl)] brown solid · Powder

200-4000 cm^-1; selected diagnostic bands reported in supplementary Table III.

Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table III
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
v CC high1612.4——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v CC low1600.8——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v H2O3550——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MCl312——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MO386——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MOH2786.9——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v OH disappeareddisap.——SI Table
Qualitative		rendered SI p001-p003 · Supplementary material · Table III
v ON1396.4——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III

FTIR spectroscopy, KBr pellet

Infrared spectroscopy

HOBt solid control · Powder

200-4000 cm^-1; selected diagnostic bands reported in supplementary Table III.

Atmosphere
not stated
Geometry
not stated
Context
free ligand control
Measurement source
rendered SI p001-p003 · Supplementary material · Table III
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
v CC1616.2——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v NN high1222.8——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v NN low1110.9——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v OH3273——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v ON high1394.4——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v ON low1357.8——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III

FTIR spectroscopy, KBr pellet

Infrared spectroscopy

[Ni(OBt)(Cl)(H2O)2] pressed tablet · Pellet

200-4000 cm^-1; selected diagnostic bands reported in supplementary Table III.

Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table III
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
v CC1614.3——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v H2O3452.3——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MCl300——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MO376——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MOH2796.5——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v OH disappeareddisap.——SI Table
Qualitative		rendered SI p001-p003 · Supplementary material · Table III
v ON1375.2——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III

FTIR spectroscopy, KBr pellet

Infrared spectroscopy

[Zn(OBt)(HOBt)(Cl)(H2O)] white solid · Powder

200-4000 cm^-1; selected diagnostic bands reported in supplementary Table III.

Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table III
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
v CC1604.7——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v H2O3421.5——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MCl305——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MO373——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v MOH2789.8——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v OH3321.5——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III
v ON1384.8——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table III

UV-vis absorption in DMF and room-temperature magnetic susceptibility

UV-visible and optical absorption spectroscopyMagnetometry and magnetic susceptibility

[Co(OBt)2(HOBt)2(H2O)2] pressed tablet · Pellet

Supplementary Table IV reports lambda_max values and effective magnetic moment where applicable.

Temperature
room temperature
Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table IV
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
effective magnetic moment5.22——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 1280——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 2320——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV

UV-vis absorption in DMF and room-temperature magnetic susceptibility

UV-visible and optical absorption spectroscopyMagnetometry and magnetic susceptibility

[Cu(gly)2] . H2O blue control · Powder

Supplementary Table IV reports lambda_max values and effective magnetic moment where applicable.

Temperature
room temperature
Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table IV
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
effective magnetic moment0.8——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 1272——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV

UV-vis absorption in DMF and room-temperature magnetic susceptibility

UV-visible and optical absorption spectroscopyMagnetometry and magnetic susceptibility

[Cu(gly)(OBt)(H2O)] sea-green solid · Powder

Supplementary Table IV reports lambda_max values and effective magnetic moment where applicable.

Temperature
room temperature
Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table IV
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
effective magnetic moment0.75——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 1265——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV

UV-vis absorption in DMF and room-temperature magnetic susceptibility

UV-visible and optical absorption spectroscopyMagnetometry and magnetic susceptibility

[Cu(OBt)2(H2O)2] pressed tablet · Pellet

Supplementary Table IV reports lambda_max values and effective magnetic moment where applicable.

Temperature
room temperature
Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table IV
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
effective magnetic moment0.73——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 1272——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV

UV-vis absorption in DMF and room-temperature magnetic susceptibility

UV-visible and optical absorption spectroscopyMagnetometry and magnetic susceptibility

[Cu(OBt)(H2O)2(Cl)] brown solid · Powder

Supplementary Table IV reports lambda_max values and effective magnetic moment where applicable.

Temperature
room temperature
Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table IV
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
effective magnetic moment0.82——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 1275——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV

UV-vis absorption in DMF and room-temperature magnetic susceptibility

UV-visible and optical absorption spectroscopyMagnetometry and magnetic susceptibility

HOBt solid control · Powder

Supplementary Table IV reports lambda_max values and effective magnetic moment where applicable.

Temperature
room temperature
Atmosphere
not stated
Geometry
not stated
Context
free ligand control
Measurement source
rendered SI p001-p003 · Supplementary material · Table IV
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
lambda_max 1265——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 2280——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV

UV-vis absorption in DMF and room-temperature magnetic susceptibility

UV-visible and optical absorption spectroscopyMagnetometry and magnetic susceptibility

[Ni(OBt)(Cl)(H2O)2] pressed tablet · Pellet

Supplementary Table IV reports lambda_max values and effective magnetic moment where applicable.

Temperature
room temperature
Atmosphere
not stated
Geometry
not stated
Context
pristine complex
Measurement source
rendered SI p001-p003 · Supplementary material · Table IV
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
effective magnetic momentzero——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 1270——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV
lambda_max 2330——SI Table
Exact Reported		rendered SI p001-p003 · Supplementary material · Table IV