دورية أكاديمية

Molecular structure of 5,10,15,20-tetra(1-naphthyl)porphyrin and 5,10-di(4-hexadecyloxyphenyl)-15,20-di(4-pyridyl)porphyrin studied by high-energy X-ray diffraction

التفاصيل البيبلوغرافية
العنوان: Molecular structure of 5,10,15,20-tetra(1-naphthyl)porphyrin and 5,10-di(4-hexadecyloxyphenyl)-15,20-di(4-pyridyl)porphyrin studied by high-energy X-ray diffraction
المؤلفون: Idziak, D.1, Pasewicz, A.1, Kołoczek, J.1, Kuś, P.2, Wrzalik, R.1, Fennell, T.3, Honkimäki, V.3, Ratuszna, A.1, Burian, A.1 burian@us.edu.pl
المصدر: Chemical Physics Letters. Sep2007, Vol. 446 Issue 1-3, p36-42. 7p.
مصطلحات موضوعية: *MOLECULAR structure, *EINSTEIN-Podolsky-Rosen experiment, *DENSITY functionals, *FUNCTIONAL analysis
مستخلص: Abstract: The molecular structure of the 5,10,15,20-tetra(1-naphthyl)porphyrin and 5,10-di(4-hexadecyloxyphenyl)-15,20-di(4-pyridyl)porphyrin were studied using high-energy X-ray diffraction (ID15-B beam line) at ESRF, Grenoble, France. The energy of the incident photons was 90.45keV. Two-dimensional detector was used. The intensity data were converted to the pair correlation function via the Fourier transform. The theoretical pair correlation functions were simulated using the density functional theory and compared with the experimental data. Obtained results indicate that the used experimental technique together with the applied interpretation method can be regarded as efficient tools for the determination of the atomic arrangement in molecules of such kind. [Copyright &y& Elsevier]
قاعدة البيانات: Academic Search Index
الوصف
تدمد:00092614
DOI:10.1016/j.cplett.2007.07.050