Palmer S.M., Stanton J.L., Hoffman B.M. et al. · Inorganic Chemistry · 1986 · 2296-2300
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
Conductivity data above 100 K are reproducible and reversible, but all crystals showed sharp irreversible conductivity loss below about 100 K due to cooling stress.
2298 · Results - Conductivity Measurements · Figure 2 · Linked to 1 structured result
Raman spectroscopy indicates that symmetric Br3- is the sole detectable halide species in Ni(pc)Br, supporting the formulation [Ni(pc)]^(1/3+)(Br3-)_(1/3).
Caveat: The absence of other bromine species is reported as not detectable, not as an absolute absence.
2297 · Results - Resonance Raman Studies · Linked to 3 structured results
Despite structural similarity to Ni(pc)I, Ni(pc)Br has distinct conductivity and magnetic behaviour, showing that anion effects should not be ignored in M(L)X molecular conductors.
Caveat: The Ni(pc)I comparison is contextual and based on cited prior work rather than a newly synthesised control in this paper.
2300 · Discussion · Linked to 3 structured results
EPR g values and line widths suggest that Ni(pc) stacks become further decoupled from Br3- chains below about 75-100 K, reducing carrier-spin mobility.
Caveat: Direct conductivity below 100 K could not be correlated with linewidth because low-temperature conductivity measurements were not possible after irreversible crystal damage.
2300 · Discussion · Figure 5 · Linked to 4 structured results
Ni(pc)Br is a high-conductivity single-crystal molecular conductor along the c-axis stacking direction at room temperature.
Caveat: Absolute conductivity has large uncertainty because of crystal-dimension uncertainty.
2298 · Results - Conductivity Measurements · Figure 2 · Linked to 3 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| (Phthalocyaninato)nickel(II) bromide | Ni(pc)Br; C32H16BrN8Ni; formulated as [Ni(pc)]^(1/3+)(Br3-)_(1/3)Ni(II) centres in phthalocyaninato macrocycles; molecular Ni(pc) stacks rather than inorganic nodes · phthalocyaninato (pc) macrocycle; bromine present as segregated Br3- chains | 1D · PristineTetragonal P4/mcc-type structure, isostructural with Ni(pc)I; stacks of Ni(pc) molecules and Br atom chains run parallel to the crystallographic c axis. | 2296 · Abstract |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| microcrystalline Ni(pc)Br sampleresearch_0440__mat__ni_pc_br | Powder · Target Sample · Pristine Framework | Microcrystalline material studied in spinning 5-mm Pyrex tubes for resonance Raman spectroscopy. | 2296 · Experimental Section |
| single crystals of Ni(pc)Brresearch_0440__mat__ni_pc_br | Single Crystal · Target Sample · Pristine Framework | Thin, lustrous, dark green needles; largest crystals about 1 mm x 0.03 mm x 0.03 mm; conductivity crystals mounted on graphite fibres with palladium paste. | 2296-2297 · Experimental Section |