title: Synthesis, spectroscopic and structural study of trans- and cis-(±)-3-phenyl-4-(pyrrolidine-1-carbonyl)-isochroman-1-ones.
abstract: Synthesis, spectroscopic and structural study of trans- and cis-(±)-3-phenyl-4-(pyrrolidine-1-carbonyl)-isochroman-1-ones is performed in order to obtain the correlation between the crystal structure and spectroscopic properties of both isomers in solid-state. The methods such as single crystal X-ray diffraction, conventional and linear-polarized IR-spectroscopy, UV-spectroscopy, mass spectrometry, ¹H and ¹³C NMR are employed. Quantum chemical ab initio and DFT calculations are performed, to support the experimental data for the electronic structure and optical properties.
authors.affiliation: University of Sofia, St. Kl. Ohridsky, Department of Organic Chemistry, Sofia 1164, Bulgaria. BIvanova@chem.uni-sofia.bg
authors.forename: M G
authors.initials: MG
authors.lastname: Bogdanov
authors.forename: I V
authors.initials: IV
authors.lastname: Svinyarov
authors.forename: B B
authors.initials: BB
authors.lastname: Ivanova
authors.forename: M
authors.initials: M
authors.lastname: Spiteller
mesh_terms: D002839:Chromans / Q000737:chemistry*; D002867:Chromones / Q000737:chemistry*; D004583:Electrons; D007536:Isomerism; D008958:Models, Molecular; D015394:Molecular Structure; D013057:Spectrum Analysis; D014961:X-Ray Diffraction
chemical_list: D002839:Chromans; D002867:Chromones