We report a synthetic, spectroscopic and computational study of the polycyclic aromatic molecule pyracene, which contains aliphatic five-membered rings annealed to a naphthalene chromophore. An improved route to synthesize the compound is described. Gas-phase IR and solid-state Raman spectra agree with a ground-state D2h structure. The electronically excited S1 A(1)B3u state has been studied by...

Kekulé structures belong to the classical concepts of theoretical chemistry of polycyclic conjugated molecules and, in particular, of benzenoid hydrocarbons [1 – 3]. Nevertheless, it was only quite recently recognized [4] that in addition to the standard representation of a Kekulé structure (in which the locations of the double bonds are indicated), also an “algebraic” representation is possibl...

The synthesis of an antiaromatic tetraoxa[8]circulene annulated with four perylene diimides (PDI), giving a dynamic non-planar π-conjugated system, is described. molecule contains 32 aromatic rings surrounding one formally planarized cyclooctatetraene (COT). intense absorption (ϵ=3.35×105 M−1 cm−1 in CH2Cl2) and emission bands are assigned to internal charge-transfer transitions the combined PD...

Background: Aim of this study is to evaluate the accuracy of the gated volumetric modulated arc therapy (VMAT/RapidArc) using 2D planar dosimetry, DynaLog files and COMPASS 3D dosimetry system. Materials and Methods: Pre-treatment quality assurance of 10 gated VMAT plans was verified using 2D array and COMPASS 3D dosimetry system. Advantage of COMPASS over 2D planar is that it provides the clin...

We report the results of a broadband rotational spectroscopic study of corannulene, C20H10, all of its singly substituted 13C isotopologues, and a complex of corannulene with one molecule of water. Corannulene is a polycyclic aromatic hydrocarbon (PAH) with a curved structure that results in a large dipole moment. Observation of 13C isotopic species in natural abundance allowed us to precisely ...

Fundamental insight into the unique fluorescence and nucleobase-mimicking properties of the fluorescent nucleobase analogues of the tC family is not only vital in explaining the behaviour of these probes in nucleic acid environments, but will also be profitable in the development of new and improved fluorescent base analogues. Here, temperature-dependent fluorescence quantum yield measurements ...

2,5,10,13-Tetraazatricyclo [12,2,2,26,9] icosa-1(16),6,8,14,17,19-hexene-3,4,11,12-tetraone tetraoxime (1a) and 2,5,11,14-tetraazatricyclo [13,3,1,16,10] icosa-1(19),6,8,10(20),15,17-hexaene-3,4,12,13-tetraonetetraoxime (1b) were obtained from condensation of 1,4- and 1,3-phenylendiamine with dichloroglyoxime, respectively. The reaction of 1,2-phenylendiamine with dich...