In the title compound, C(10)H(12)ClN(3)S, the dihedral angle between the benzene ring and the thio-urea unit is 2.35 (19)°. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R(2) (2)(8) loops.

A number of fluorescent dyes based on BODIPY (4,4'-difluoro-4-bora-3a,4a-diaza-s-indacene) have been studied theoretically. This paper presents the results of calculations of these BODIPY dyes in their ground and excited states, performed using DFT and TD-DFT methods, respectively. The influences of N,N-dimethylaminobenzyl, ortho-fluorophenol, and methyl substituents as well as the solvent pola...

Differing caging mechanisms of electronically excited ICl within He...ICl complexes are investigated using laser-induced fluorescence and two-laser, pump-probe spectroscopy. A continuum signal is observed in laser-induced fluorescence spectra recorded with excitation energies that access regions above the I 2P3/2 + Cl 2P3/2 dissociation limit. We show that this signal is associated with transit...

We report the identification of heavy Rydberg resonances in the ion-pair spectra of I2, Cl2, ICl, and IBr. Extensive vibrational progressions are analysed in terms of the energy dependence of the quantum defect δ(Eb) rather than as Dunham expansions. This is shown to define the heavy Rydberg region, providing a more revealing fit to the data with fewer coefficients and leads just as easily to n...

OBJECTIVE To investigate whether longitudinal trajectories of inflammatory markers of asthma can be predicted by levels of family routines in youth with asthma. DESIGN Family routines were assessed through parent questionnaires and peripheral blood samples obtained from youth every 6 months throughout the 18-month study period. Longitudinal relationships were evaluated using hierarchical line...