Organization of Lower Rim O-Alkylated p-Phosphonic Acid Calix[4]arenes
نویسندگان
چکیده
منابع مشابه
Phosphonic Acid Anhydrides [R P 02]„: Oligomerization and Structure
Z. Naturforsch. 50b, 855-858 (1995); received November 11, 1994 Organophosphonic Acid Anhydrides, Phosphonic Acid Anhydrides, Stereochemistry, NMR Spectra The phosphonic acid anhydrides of the general formula [R P 0 2]„ have been prepared with R = Me, Et, z-Pr, r-Bu, and Ph from the corresponding phosphonic acids and their chlorides and esters. Mass spectrometric data indicate that the trimers ...
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Using rst-principles total energy calculations, we investigated the reaction enthalpies for bonding of a single vinyl phosphonic acid (VPA) molecule to selected three-fold sites on hydroxylated {Al2O3(0001). We examined tridentate, bidentate and unidentate coordinations for the bound VPA fragment following a condensation reaction with the surface. Based upon our calculations we found that: (a) ...
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The molecular structure of the stable conformation of phosphonic acid in gas phase has beencomputed by employing complete geometry optimization in Density Functional Theory(DFT) methods. The methods used for calculations are B3LYP, BP86 and B3PW91 that havebeen studied in two series of basis sets: D95** and 6-31+G(d,p) for hydrogen and oxygenatoms; LANL2DZ for phosphorus. Bond lengths and angle...
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ژورنال
عنوان ژورنال: Crystal Growth & Design
سال: 2009
ISSN: 1528-7483,1528-7505
DOI: 10.1021/cg900315h