We investigate numerically the temperature and density dependence of the Stokes-Einstein ratio, Dη∕T, and of two commonly-used variants thereof, Dτ and Dτ∕T, where D is a diffusivity, η the shear viscosity, and τ a structural relaxation time. We consider a family of atomic binary mixtures with systematically-softened repulsive interactions, and the Lewis-Wahnström model of ortho-terphenyl (OTP)...

Synthetic lectins are molecules designed for the challenging task of biomimetic carbohydrate recognition in water. Previous work has explored a family of such systems based on bi/terphenyl units as hydrophobic surfaces and isophthalamide spacers to provide polar binding groups. Here we report a related receptor which employs a new spacer, 2,5-bis-(aminomethyl)-pyrrole, with an alternative (A-D-...

The time scales of crystallization of two model liquids, an atomic liquid and a molecular liquid of bent trimers originally introduced as a model of the glass the former o-terphenyl, are determined using molecular dynamics simulations. The molecular liquid is found to have a minimum crystallization time, on supercooling, that is 10(4) times larger than that of the atomic liquid. We present evid...

Crystallographic studies of low symmetry organic molecular crystalline solids were performed by using XRD diffraction method. The well defined peaks appeared in the XRD profile of solids was indexed by using sin2 ratio method to understand the planes producing these peaks. The hkl values and d-spacing of the planes obtained from XRD file of diffractometer machine are feed into the software prog...

Custom-designed surfactants, known as "linactants", have the ability to reduce the line tension between coexisting phases within mixed monolayers of chemically dissimilar compounds at the air-water interface. Thus far, linactants have been successfully identified for only one type of chemical dissimilarity, involving mixed monolayers of hydrocarbon and fluorocarbon surfactants. In the present w...

Properly prepared pulse sequences of microwave and radio frequency have been employed to investigate the effect of polarization transfer from the polarized photo excited triplet state of pentacene in p-terphenyl crystals to the surrounding protons in pulsed ENDOR experiments. The ENDOR signal, measured as the change of electron spin echo (ESE) amplitude, is affected by the mode of RF pulses. Wh...

The "distannynes" Ar'SnSnAr' (Ar' = C6H3-2,6(C6H3-2,6-Pr(i)2)2) and ArSnSnAr (Ar = C6H3-2,6(C6H2-2,4,6-Pr(i)3)2) were examined by solid-state (119)Sn NMR and Mössbauer spectroscopy. The two compounds display substantially different spectroscopic parameters, while differing only in the absence (Ar'SnSnAr') or presence (ArSnSnAr) of a para-Pr(i) group in the flanking aryl rings of their terphenyl...