Abstract
The structures of two cis-5‑hydroxy‑2-phosphono-2,5-dihydrofurans C24H23O5P (1) and C26H27O5P (2), were investigated by using various spectroscopic tools including IR, NMR (1H, 31P, 13C) spectroscopy, mass spectrometry and single crystal X-ray diffraction. Intermolecular interactions were studied by Hirshfeld surface analysis. The structures of both compounds were also optimized by density functional theory (DFT) calculations using B3LYP hybrid functionals with 3–21 g* level basis set. The experimentally determined parameters were compared with those calculated theoretically and they were found to complement each other with a very good correlation.
Published Version
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