Optimization of Molecular Modeling and Spectroscopic Studies of 2-Acetoxybenzoic Acid with 2-Hydroxypropane-1,2,3-Tricarboxylic Acid Crystal

A series of expanded porphyrins, incorporating biimidazoles and bipyrroles within their macrocyclic framework, has been synthesized. Insights into the complex conformational characteristics of these ems were obtained from two-dimensional NMR spectroscopic studies. The relative energy values for the various asymmetric structures inferred from these analyses were compared using DFT molecular modeling calculations.Key words: macrocycles, expanded porphyrins, imidazoles, pyrroles, biimidazoles, supramolecular chemistry, heterocycles.

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Synthesis and spectroscopic studies of diorganotin derivatives with tolfenamic acid. Crystal and molecular structure of the first complex of tolfenamic acid, 1,2:3,4-di-μ2-2-[(3-chloro-2-methylphenyl)amino]-benzoato-O,O-1,3-bis-2-[(3-chloro-2-methylphenyl)amino]benzoato-O-1,2,4:2,3,4-di-μ3-oxo-tetrakis[di-n-butyltin(IV)]

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(00)00819-6 ◽

2001 ◽

Vol 620 (1-2) ◽

pp. 194-201 ◽

Cited By ~ 42

Author(s):

Dimitra Kovala-Demertzi ◽

Nikolaos Kourkoumelis ◽

Aglaia Koutsodimou ◽

Alice Moukarika ◽

Ernst Horn ◽

...

Keyword(s):

Molecular Structure ◽

Crystal And Molecular Structure ◽

Spectroscopic Studies ◽

Tolfenamic Acid ◽

Acid Crystal

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Optimization of Molecular Modeling and Spectroscopic Studies of 2-Acetoxybenzoic Acid with 2-Hydroxypropane-1,2,3-Tricarboxylic Acid Crystal

Multiple Binding Modes of Anticancer Drug Actinomycin D: X-ray, Molecular Modeling, and Spectroscopic Studies of d(GAAGCTTC)2-Actinomycin D Complexes and Its Host DNA

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Tetraazaoctaphyrin  A biimidazole-containing expanded porphyrin

Tetraazaoctaphyrin A biimidazole-containing expanded porphyrin