Gacho, Eduardo H. Imai, Hiroyuki Tsunashima, Ryo Naito, Toshio Inabe, Tamotsu Kobayashi, Nagao Synthesis, Isolation, and Structural Characterization of the <i>C</i><sub>4</sub><i><sub>h</sub></i> Isomer of Metal(1,2-naphthalocyanine) and Its One-Dimensional Conductor of the Axially Substituted Species The <i>C</i><sub>4</sub><i><sub>h</sub></i> isomer of the 1,2-Nc (1,2-naphthalocyaninato) ligand has been efficiently isolated as a hydrated magnesium complex by the fractional crystallization from the benzene/acetone solution after treating the crude mixture of the four isomers (<i>C</i><sub>4</sub><i><sub>h</sub></i>, <i>C</i><i><sub>s</sub></i>, <i>C</i><sub>2</sub><i><sub>v</sub></i>, <i>D</i><sub>2</sub><i><sub>h</sub></i>) with benzene. The <i>C</i><sub>4</sub><i><sub>h</sub></i> symmetry has been confirmed by X-ray structure analysis. The central metal ion has been demetalated and subsequently converted to the Li<sub>2</sub> complex followed by conversion to the cobalt(II) complex. Electrochemical oxidation of the Co<sup>III</sup>(1,2-Nc)(CN)<sub>2</sub> anion prepared from the cobalt(II) complex with TPP (tetraphenylphosphonium) has yielded a partially oxidized salt, TPP[Co<sup>III</sup>(1,2-Nc-<i>C</i><sub>4</sub><i><sub>h</sub></i>)(CN)<sub>2</sub>]<sub>2</sub>. The crystal comprises slipped stacked Co<sup>III</sup>(1,2-Nc-<i>C</i><sub>4</sub><i><sub>h</sub></i>)(CN)<sub>2</sub> one-dimensional chains and one-dimensional arrays of TPPs. The conductivity at room temperature is 0.1 S cm<sup>-1</sup>, and the temperature dependence is semiconducting with a small activation energy of about 0.05 eV. The positive temperature-independent value of about 60 μV deg<sup>-1</sup> observed in the thermoelectric power measurements suggests that the salt is in the correlated hopping regime. Electrochemical oxidation;cobalt;temperature dependence;C 4 h;TPP;Axially Substituted Species;metal ion;benzene;C 4 h isomer;0.1 S cm;0.05 eV;power measurements;Nc;Li 2;D 2 h;C 4 h Isomer;60 μ V deg;CN;Co;C 4 h symmetry;Structural Characterization;crude mixture;III;C 2 v;room temperature;activation energy 2006-05-15
    https://acs.figshare.com/articles/dataset/Synthesis_Isolation_and_Structural_Characterization_of_the_i_C_i_sub_4_sub_i_sub_h_sub_i_Isomer_of_Metal_1_2_naphthalocyanine_and_Its_One_Dimensional_Conductor_of_the_Axially_Substituted_Species/3222433
10.1021/ic0520622.s001