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Journal of Structural Chemistry

2009 year, number 5

SUPRAMOLECULAR INTERACTIONS AND STRUCTURAL TRANSFORMATIONS IN THE METAL-ORGANIC SORBENT-ACETONE NANOREACTOR SYSTEM

S. P. Gabuda, S. G. Kozlova, D. N. Dybtsev, V. P. Fedin
Keywords: metal-organic sorbent, Raman spectroscopy, 1H NMR, proton exchange, keto and enol forms of acetone
Pages: 924-930

Abstract

By the 1Н NMR and Raman spectroscopy data it is shown that in the porous inclusion compound of Zn2(C8H4O4)2[(N2(CH2)6))]·n(CH3)2CO (n ≈ 0-4.7) acetone molecules exist in two structural forms: ketonic (CH3)2CO, for which the 1Н NMR chemical shift value is δket = 0.8 ppm, and enolic CH3C(OН)=CH2, for which δen(ОН) = 11 ppm, δen(CH2) = 8.9 ppm, and δen(CH3) = 1.6 ppm are found, the average value over three proton sites being 〈δen〉 = 5.6 ppm. A sharp difference in chemical shift values for the keto and enol forms of acetone in the inclusion compounds can be assigned to the effect of structural chemical conditions in two types of adsorption centers.