Excited-state rotatory strengths are reported for the first time at a correlated ab initio level, here with algebraic diagrammatic construction scheme of polarization propagator up to third order. To demonstrate capabilities this computational approach, gas phase S1 electronic circular dichroism spectra bicyclic ketones (1R)-camphor, (1R)-norcamphor, and (1R)-fenchone have been calculated ADC(3...

Essential oils of the fruits of three organically grown cultivars of Egyptian fennel (Foeniculum vulgare var. azoricum, Foeniculum vulgare var. dulce and Foeniculum vulgare var. vulgare) were examined for their chemical constituents, antimicrobial and antioxidant activities. Gas chromatography/mass spectrometry analysis of the essential oils revealed the presence of 18 major monoterpenoids in a...

Photoelectron circular dichroism (PECD) is experimentally investigated with chiral specimens with varying amounts of enantiomeric excess (ee). As a prototype, we measure and analyze the photoelectron angular distribution from randomly oriented fenchone molecules in the gas phase that result from ionization with circularly polarized femtosecond laser pulses. The quantification of these measureme...

In the framework of the correlation between chemotaxonomy and chemical analysis studies, the chemical composition of the essential oils of four varieties of Thuja species cultivated in Poland - T. occidentalis 'globosa', T. occidentalis 'aurea', T. plicata and T. plicata 'gracialis' - were investigated by GC and GC-MS. Thirty-one compounds were identified from T. occidentalis 'globosa', represe...

Photoelectron circular dichroism (PECD) is a CD effect up to the ten-percent regime and shows contributions from higher-order Legendre polynomials when multiphoton ionization is compared to single-photon ionization. We give a full account of our experimental methodology for measuring the multiphoton PECD and derive quantitative measures that we apply on camphor, fenchone and norcamphor. Differe...

       The volatile constituents of aerial parts of Euphorbia aellenii Rech.f. and E. microsciadea Boiss. were analyzed by gas chromatography (GC) and GC-mass spectrometry (MS) methods. The main volatile constituents of E. aellenii were phytol isomer (47.3%), camphene (31.9%) and caryophyllene oxide (20.6%), while the major volatile components of <em...