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Title: Synthesis, spectroscopic characterization and theoretical studies of (4-boronobenzoyl)serine
Authors: Dikmen, Gökhan
Hür, Deniz
Keywords: (4-boronobenzoyl)serine
Vibrational analysis
DFT calculation
Issue Date: 2020
Publisher: Elsevier
Abstract: (4-boronobenzoyl)serine (4BBS) was synthesized and investigated theoretically and experimentally by spectroscopic methods such as FT-IR, Raman and NMR. The molecular structure, spectroscopic parameters and geometric parameters were determined by computational methods. All theoretical calculations were carried out using B3LYP method and 6-311++G(d,p) basis set. Total energy distribution analysis of normal modes was performed to identify characteristic frequencies. To investigate structure of title molecule using NMR, H-1, C-13, C-13 APT, H-1-O-17 and H-1-N-15 HMQC, H-1-C-13 HMBC, H-1-C-13 HETCOR, H-1-H-1 NOESY and H-1-H-1 COSY NMR experiment were performed. These results should be useful for the experts in their studies based on functionalized phenylboronic acid derivatives.
ISSN: 0301-0104
Appears in Collections:Fizik Bölümü Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu

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