Primary studyCore evidenceTransport Physics

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

10materials
11samples
8synthesis routes
35measurements
220results
7claims and caveats

Evidence map

Open a family to keep every result attached to its sample, method and conditions.

Author interpretations and caveats

Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.

Phase AssignmentSupport assessment: High

Complex 1A is assigned as a helical 1D Cu(II) coordination polymer with alternating chromophores bridged by OBt ligands.

Caveat: Conductivity for this exact crystal phase is not separately tabulated.

3536-3538 / rendered p011-p013 · 3.3.1 · Figs. 9-12 · Linked to 3 structured results

Phase AssignmentSupport assessment: High

Complex 1B is assigned as a zigzag 1D Cu(II) coordination polymer bridged by OBt ligands with square-pyramidal Cu sites.

Caveat: The text says 'basic units of complex 2 form zigzag chains' in the 1B discussion; context indicates this refers to the 1B basic units, but the wording is potentially confusing.

3539 / rendered p014 · 3.3.2 · Figs. 13-15 · Linked to 3 structured results

Structure Property LinkSupport assessment: High

HOBt/OBt binds multiple metal ions strongly; negative DeltaG values support thermodynamically favoured complex formation.

Caveat: Formation constants are solution thermodynamics, not direct solid-state conductivity metrics.

3539 / rendered p014 · 4. Conclusion · Tables 4-5 · Linked to 3 structured results

Structure Property LinkSupport assessment: Medium

Magnetic moment data support octahedral high-spin Co, square-planar Ni, and antiferromagnetically coupled/polymeric Cu complexes according to the authors.

Caveat: Magnetic assignments are inferred from room-temperature effective moments and electronic spectra; not all non-crystalline complexes have solved structures.

3534 / rendered p009 · 3.2.2 · SI Table IV · Linked to 3 structured results

Structure Property LinkSupport assessment: High

Low DMF solution molar conductance values indicate neutral coordination compounds/non-electrolytes.

Caveat: Solution conductance does not establish solid framework conductivity.

3533 / rendered p008 · 3.2 · Table 7 · Linked to 3 structured results

Transport MechanismSupport assessment: Medium

The authors state that electrons in available orbitals are not highly mobile and that chelate-ring formation hinders ligand conjugation.

Caveat: No mobility values are reported; this is an interpretive claim from conductivity activation behaviour.

3534 / rendered p009 · 3.2.4 · Linked to 2 structured results

Transport MechanismSupport assessment: High

All HOBt metal complexes examined by solid d.c. conductivity behave as semiconductors; conductivity increases with temperature, interpreted as extrinsic conduction involving activation from donor levels to the conduction band and/or thermally activated hopping.

Caveat: Table 9 reports activation fit parameters rather than raw conductivity-versus-temperature data; exact temperature ranges for each fitted segment are only visible graphically in Fig. 8.

3534-3536 / rendered p009-p011 · 3.2.4 · Fig. 8; Table 9 · Linked to 3 structured results

Material identities

Names and aliases are kept exactly within the paper’s own identity model.

MaterialCompositionStructure contextSource
[Co(OBt)2(HOBt)2(H2O)2] . 3H2O (5)CoC24H22N12O6 plus 3H2O in synthesis heading/Table 7 contextCo(II) · OBt and HOBt ligandsunknown · PristineIsolated cobalt HOBt complex; octahedral high-spin configuration inferred from magnetic data.3528-3534 / rendered p003-p009 · 2.3.6; 3.2 · Tables 7-9
[Cu(gly)2] . H2OCuC4H8N2O4Cu(II) · glycineunknown · UnknownCopper glycine comparison complex listed in physical-property table.3533 / rendered p008 · Table 7 · Table 7
[Cu(gly)(OBt)(H2O)] (7)CuC8H10N4O4Cu(II) · glycine and OBt ligandsunknown · PristineMixed glycine/HOBt copper complex; no crystal structure reported here.3528-3533 / rendered p003-p008 · 2.3.8; Table 7 · Table 7
[Cu(OBt)2(H2O)2] (2)CuC12H12N6O4Cu(II) · OBt (deprotonated 1-hydroxybenzotriazolate)unknown · PristinePrepared copper HOBt complex; magnetic and conductivity discussion suggests polymeric Cu...Cu interactions, but no single-crystal structure is reported for this phase.3528-3529 / rendered p003-p004 · 2.3.3 and Table 7 · Table 7
[Cu(OBt)(H2O)2(Cl)] (3)CuC6H8N3O3ClCu(II) · OBt ligand; chloride and water co-ligandsunknown · PristinePrepared copper HOBt chloride complex; no crystal structure reported here.3528-3533 / rendered p003-p008 · 2.3.4; Table 7 · Table 7
[Cu2(H2O)5(OBt)2(mu-OBt)2] . 2H2O . EtOH (1A)C26H36Cu2N12O12; [Cu2(H2O)5(OBt)2(mu-OBt)2] . 2H2O . EtOHCu(II) centres; alternating Cu1 square-pyramidal and Cu2 distorted trans-octahedral environments · terminal and bridging 1-hydroxybenzotriazolate (OBt) ligands1D · PristineHelical 1D coordination polymer chains with intra- and inter-chain pi-pi interactions; layers pack into a three-dimensional supramolecular structure.3536-3538 / rendered p011-p013 · 3.3.1 · Figs. 9-12; Table 10
[Cu(mu-OBt)(HOBt)(OBt)(EtOH)] (1B)C20H19CuN9O4; [Cu(mu-OBt)(HOBt)(OBt)(EtOH)]Cu(II) square-pyramidal centres bridged by OBt · HOBt and OBt ligands; ethanol axial ligand1D · PristineZigzag 1D polymeric chains of Cu(II) atoms bridged by 1-hydroxybenzotriazolate ligand; pi-pi interaction and H-bonding between chains.3539 / rendered p014 · 3.3.2 · Figs. 13-15
1-hydroxybenzotriazole (HOBt)C6H5N3Onone · HOBt ligand / precursor0D · UnknownMolecular ligand used for acidity, complex-formation and control electrical-conductivity measurements.3527 / rendered p002 · 2. Experimental · Fig. 1
[Ni(OBt)(Cl)(H2O)2] (4)NiC6H8N3O3ClNi(II) · OBt ligand; chloride and water co-ligandsunknown · PristineNickel HOBt complex; square-planar geometry inferred from zero effective magnetic moment.3528-3534 / rendered p003-p009 · 2.3.5; 3.2 · Tables 7-9
[Zn(OBt)(HOBt)(Cl)(H2O)] (6)ZnC12H11N6O3ClZn(II) · OBt and HOBt ligands; chloride and water co-ligandsunknown · PristinePrepared zinc HOBt complex; no crystal structure reported here.3528-3533 / rendered p003-p008 · 2.3.7; Table 7 · Table 7

Sample register

Sample form, processing state and composition status define the context for measurements.

Show 11 sample records
SampleForm and roleProcessing and geometrySource
HOBt solid controlresearch_0243__mat__hobt_ligandPowder · Paper Level Unspecified · Unknownfree ligand used as solid tablet/pellet for Table 9 transport and as solution ligand for pKa/formation measurementsnone · 0.12 mm tablet thickness for solid electrical-conductivity samples; otherwise not applicable/not stated3528 and 3536 / rendered p003,p011 · 2.2; Table 9 · Table 9
1A black-brown single crystalsresearch_0243__mat__cu_polymer_1aSingle Crystal · Target Sample · Pristine Frameworklarge black brown crystals from slow evaporation of filtratenone · not applicable/not stated3528 / rendered p003 · 2.3.1
1B light olive green needlesresearch_0243__mat__cu_polymer_1bSingle Crystal · Target Sample · Pristine Frameworklight olive green needles from slow evaporationnone · not applicable/not stated3528 / rendered p003 · 2.3.2
[Co(OBt)2(HOBt)2(H2O)2] pressed tabletresearch_0243__mat__co_hobt_complexPellet · Target Sample · Pristine Frameworkpale pink solid pressed into tablet for solid electrical-conductivity measurementnone · 0.12 mm tablet thickness for solid electrical-conductivity samples; otherwise not applicable/not stated3528 and 3536 / rendered p003,p011 · 2.2; Table 9 · Table 9
[Cu(gly)2] . H2O blue controlresearch_0243__mat__cu_gly2_h2o_controlPowder · Pristine Control · Unknowncomparison copper glycine sample listed in Table 7none · not applicable/not stated3533 / rendered p008 · Table 7 · Table 7
[Cu(gly)(OBt)(H2O)] sea-green solidresearch_0243__mat__cu_gly_obt_h2oPowder · Target Sample · Pristine Frameworksea-green solid isolated for physical-property measurementsnone · not applicable/not stated3528 and 3533 / rendered p003,p008 · 2.3.8; Table 7 · Table 7
[Cu(OBt)2(H2O)2] pressed tabletresearch_0243__mat__cu_obt2_h2o2Pellet · Target Sample · Pristine Frameworkgreen solid pressed into tablet for solid electrical-conductivity measurementnone · 0.12 mm tablet thickness for solid electrical-conductivity samples; otherwise not applicable/not stated3528 and 3536 / rendered p003,p011 · 2.2; Table 9 · Table 9
[Cu(OBt)(H2O)2(Cl)] brown solidresearch_0243__mat__cu_obt_cl_h2o2Powder · Target Sample · Pristine Frameworkbrown solid isolated for physical-property measurementsnone · not applicable/not stated3528 and 3533 / rendered p003,p008 · 2.3.4; Table 7 · Table 7
[Ni(OBt)(Cl)(H2O)2] pressed tabletresearch_0243__mat__ni_obt_cl_h2o2Pellet · Target Sample · Pristine Frameworklight green solid pressed into tablet for solid electrical-conductivity measurementnone · 0.12 mm tablet thickness for solid electrical-conductivity samples; otherwise not applicable/not stated3528 and 3536 / rendered p003,p011 · 2.2; Table 9 · Table 9
[Zn(OBt)(HOBt)(Cl)(H2O)] white solidresearch_0243__mat__zn_hobt_complexPowder · Target Sample · Pristine Frameworkwhite solid isolated for physical-property measurementsnone · not applicable/not stated3528 and 3533 / rendered p003,p008 · 2.3.7; Table 7 · Table 7
HOBt metal-ion potentiometric solution seriesresearch_0243__mat__hobt_ligandUnknown · Paper Level Unspecified · Modelaqueous-organic titration solutions containing HOBt with Co, Cu, Ni, Fe, Cd, Zn, Pb or Hg ionsnone · not applicable/not stated3527 and 3531 / rendered p002,p006 · 2.1.3; 3.1.4 · Fig. 4; Tables 4-5