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Study on Electronic Absorption and Surface Morphology of Double Layer Thin Films of Phthalocyanines
박규순,Ilsu-Heo,Ilhwan Ryu,임상규 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.3
The electronic absorption and surface morphology evolution of two types of molecular double layer thin films,copper phthalocyanine (CuPc) layer deposited on chloro[subphthalocyaninato]boron(III) (SubPc) layer,denoted as SubPc/CuPc, and vice versa, with various thicknesses were investigated using ultraviolet (UV)-visible spectroscopy and atomic force microscopy (AFM). Both types of double layer structures showed similar broadened absorption patterns in the UV-visible region that were consistent with the fitted spectra following simple linear combination of the single layer absorption spectra of the two materials. In contrast, the surface morphology of double layer structures was dependent on the order of deposition. For the CuPc/SubPc structures, surface morphology was characterized by elongated grains, which are characteristic of SubPc thin films, indicating that the morphological influence of the underlying CuPc layer on the subsequent SubPc layer was not large. For the SubPc/CuPc structures, however, the underlying SubPc layer acted as a morphological template for the subsequently deposited CuPc layer. It was also observed that the grain size of the CuPc layer varied according to the thickness of the underlying SubPc layer.
박규순,Seok-Chan Kim,강한영 대한화학회 2005 Bulletin of the Korean Chemical Society Vol.26 No.9
The N-inversion energies and nucleophilic ring-opening reactions of N-substituted aziridine compounds are investigated using B3LYP/6-31+G* methods, where substituents (R) on the nitrogen atom has been H (1), Me (2), Ph (3), Bn (4), CHMePh (5), CO2Me (6), COPh (7) and SO2Ph (8). The N-inversion energy with X group are decreased as the following order: R = CHMePh (17.06 kcal/mol) > Me (16.97) > Bn (16.70) > H (16.64) > SO2Ph (12.18) > Ph (8.91) > COPh (5.75) > CO2Me (5.48). For reactivity of the ring opening toward cyanide ion, the aziridine 6 (R=CO2Me) is shown to be the most reactive one. During the ring opening of aziridine 6 by CN , the torsional OCNC angle becomes near to 180o, where the geometry allows for the effective incorporation of electrons of the nitrogen atom to the C = O bond. It would be a possible driving force for nucleophilic ring opening reaction as well as decreasing the N-inversion energy barrier. Regarding to the regioselectivity, the orientation of nucleophile in ring opening reaction appears to be different in the case of 9 and 10. The results are discussed in terms of steric/electronic effect of the C2-substituents.