New research progress on 56786-63-1 in 2021. Chemical research careers are more diverse than they might first appear, as there are many different reasons to conduct research and many possible environments. In an article, author is Milani, Alberto, once mentioned the application of 56786-63-1, Computed Properties of https://www.ambeed.com/products/56786-63-1.html, Name is (2AR,2’R,4S,5’R,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-2a,4-dihydroxy-5′,6a,8a,9-tetramethylicosahydrospiro[naphtho[2′,1′:4,5]indeno[2,1-b]furan-10,2′-pyran]-2(11aH)-one, molecular formula is C27H42O5, molecular weight is 446.6194, MDL number is MFCD00273330, category is dioxole. Now introduce a scientific discovery about this category.
The supramolecular solid state structure of Na+, K+, Ca2+ and NH4+ salts of difluoro((2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1.3-dioxolan-4-yl)oxy)acetic acid have been investigated by means of IR and Raman vibrational spectroscopy, and Density Functional Theory (DFT) calculations on suitable molecular models. In the case of NH4+ salts, additional insights have been provided by X-Ray diffraction measurements on crystalline powders. Based on the analysis of IR and Raman spectra, the structure of the different salts at the molecular level is identified. In NH4+ salts, the spectra indicate the existence of different stable complexes, while for the other salts only one type of aggregation is observed. For NH4+ salts, it has been analyzed the effect of solvation in water, focusing on the specific features shown by the IR spectrum: this gave a further insight on the peculiar aggregation properties observed. For all the cases-studied, DFT calculations gave a satisfactory interpretation of the experimental vibrational spectra based on the structure of different models of molecular complexes, and allowed the identification of characteristic marker bands related to different supra-molecular architectures. (C) 2012 Elsevier B.V. All rights reserved.
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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem