Phthalocyanines structural analogs

Therefore, prediction of the p values for a given chemical structure is essential in the second-order NLO field in order to prepare appropriate systems for a specific application and constitutes the basis for the optimization of the microscopic NLO performance. The most widely used theoretical model to discuss the NLO performance of organic molecules consists of a summation over the electronic states of the system (SOS sum over states). The general SOS expressions for the components of the p tensors are well-known [30]. In many cases, only a few electronic levels contribute significantly to the NLO response and the general expressions simplify. For ID charge-transfer molecules (such as p-nitroaniline) a two-level model has yielded satisfactory results for the quadratic hyperpolarizability. For planar (2D) systems, as most phthalocyanines and analogous compounds, three... 

Modified phthalocyanines and their structural analogs 12MI14. 

Structural Characterization. Structural characterization of 46, revealed that the four-coordinate Mg atom was displaced 0.555(3) A out of the plane. This displacement, which is significantly longer than that observed for analogous phthalocyanines and porphyrins where the distances range from 0.273 to 0.496 A, has been attributed to the smaller size of the central cavity of the pz compared to the pc or porphyrin (108-111). 

The first structural report on a phthalocyanine complex concerned [Ni(pc)J (Table 110 I).2878 In the crystal lattice of this compound the square planar macrocycles are arrayed in slipped stacks such that the distance between the molecular planes along the perpendicular direction is 388 pm. [Ni(pc)] may be prepared by a variety of methods 2873,2871 2880 a convenient one is heating a foil of elemental nickel in o-cyanobenzamide at 270 °C (Scheme 60).2881 [Ni(pc)] is insoluble in the most common organic solvents, but soluble in concentrated sulfuric acid from which it is reprecipitated unchanged upon dilution. This complex is thermally very stable and may be sublimed in vacuo. The reduction of [Ni(pc)] can be accomplished by chemical or electrochemical methods and results in ligand-based reduced anions [Ni(pc)]" ( = 1, 2). Analogously, the electrochemical oxidation results in the oxidized ligand. 3... 

Syntheses, structural features, and acid-base interactions in non-central symmetric thiadiazole and triazole phthalocyanine analogs 04MI24. 

Synthesis, structure, and properties of coordination compounds of iron phthalocyanine series and their analogs 00UK355. 

X-ray diffraction 113) reveals that the so-called uranyl phthalocyanine is in reality a complex of the superphthalocyanine ligand, an expanded five-subunit analog of phthalocyanine 112, 113), (The rigorous Chemical Abstracts name of this complex is 5,35 14,19-diimino-7,12 21,-26 28,33-trinitrilopentabenzo [c,h,m,r,w,] [1,6,11,16,21] pentaazacyclopen-tacosinatodioxouranium(VI). The molecular structure of this unique complex is depicted in Figures 9 and 10. The coordinative preferences of the uranyl ion can dramatically alter the normal course of the cyclization reaction (Equation 17). 

Treatment of Lu(0Ac)3-nH20 with phthalonitrile in the presence of 1,8-diazabicyclo-[5.4.0]undec-7-ene (DBU) in 1-hexanol gives the sandwich compound Lu(Pc)2 and the half-sandwich complex Lu(Pc)(0Ac)(H20)2 (De Cian et al. 1985). Both compounds were structurally characterized and the latter was believed to be an intermediate in the formation of the former complex. A solid-state reaction of Lu(OAc)3 and phthalonitrile may also lead to the formation of Lu(Pc)(OAc) and Lu(Pc)2, along with the metal-free phthalocyanine H2(Pc). The ratio of these products depends on the reaction temperature and reaction time (Clarisse andRiou 1987). The 1,2-naphthalocyanine analog Lu(l,2-Nc)(OAc) has recently been prepared in 56% yield by treating Lu(OAc)3 with Li2(l,2-Nc) in 1,2,4-trichlorobenzene (Guyon et al. 1998). 

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