Theoretical Study of Alkali Metal Complexes of Porphyrin (М2Р), Porphyrazine (М2Рz) and Phthalocyanine (М2Рc), М=Li, Na, K
نویسندگان
چکیده
منابع مشابه
Topological Analysis of Theoretical Charge Density of Alkali Metal Cations (LC, Na+, le)ICrown Ether (18e6) Complexes
The DO1(18c6)fi (MwLi. Na. K and I 8c6=18-crown-6) complexes have been chosen as the model systems toinvestigate the nature of chemical bonds between alkali metal cations and large mffitidentaie orgmnic ligands.The B3LYP/6-3I+G(d,p) level of calculation has been used for obtaining equilibrium geernetnes and p(r)functions (electron density distributions). By the aid of fundamental physical theor...
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The syntheses and characterization of alkali metal complexes [{VO2L}M(H2O}n] (1 & 2) [M = Na (1), K (2)] of anionic cis-dioxovanadium(V) species (LVO2 ) of the Schiff base 2-hydroxybenzoylhydrazone of 2-hydroxybenzaldehyde have been reported. The number of coordinated water molecules in [{VO2L}M(H2O}n] decreases as the charge density of the alkali metal ion decreases (n = 5 for Na and 1 for K)....
متن کاملtopological analysis of theoretical charge density of alkali metal cations (lc, na+, le)icrown ether (18e6) complexes
the do1(18c6)fi (mwli. na. k and i 8c6=18-crown-6) complexes have been chosen as the model systems toinvestigate the nature of chemical bonds between alkali metal cations and large mffitidentaie orgmnic ligands.the b3lyp/6-3i+g(d,p) level of calculation has been used for obtaining equilibrium geernetnes and p(r)functions (electron density distributions). by the aid of fundamental physical theor...
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A theoretical study of a series of five glucose based glycolipid crown ethers and their complexes with Na(+) and K(+) was performed using the density functional theory with B3LYP/6-31 G* to obtain the optimized geometrical structures and electronic properties. The local nucleophilicity of the five molecules was investigated using Fukui function, while the global nucleophilicity was calculated f...
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ژورنال
عنوان ژورنال: Macroheterocycles
سال: 2011
ISSN: 1998-9539
DOI: 10.6060/mhc2011.1.02