C-H...X intermolecular interaction in crystals of triazacyclohexane complexes
نویسندگان
چکیده
منابع مشابه
Intermolecular Interaction Energies in Molecular Crystals of 4-Formylcoumarin Derivatives
Most of the crystallographic analysis that follows from structure determination involves interpretation of the molecular geometry and a working knowledge of a variety of intraand intermolecular interactions based purely on geometrical considerations (distance and angle cut off criteria). The missing link is to explore the energetics associated with these interactions, particularly intermolecula...
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Intermolecular atom–atom bonds in crystals?1
The concept of interatomic bonds with more or less characteristic internuclear bond distances and bond energies is firmly established in molecular chemistry. The transfer of this concept to the world of intermolecular arrangements in crystals is appealing and has come into wide usage in discussions of actual and possible crystal structures. However, there are circumstances that render such a tr...
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The character of the intermolecular interactions in Cl2-HX (X =F, Cl and Br) complexes has been investigated by means of the second-order Möller–Plesset perturbation theory (MP2) and the density functional theory (DFT) calculations. The results show that there are two types of lowest interaction potential equilibrium structures in the interactions between Cl2 and HX: X∙∙∙Cl type geometry and hy...
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We investigate the influence of interchain interactions on the photoluminescence processes in a sexithiophene single crystal by applying hydrostatic pressure. We perform transient photoluminescence spectroscopy in the time domain of 100 fs for pressures up to 60 kbar. The combined use of steady-state and time-resolved optical spectroscopies allows us to show that the pressure-induced quenching ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2005
ISSN: 0108-7673
DOI: 10.1107/s0108767305086630