نوشته شده توسط : charolette

 

The analysis from X-ray or neutron diffraction data, of the unusually high librational motion around the long molecular Nike Cortez All Black Suede axis of the p-terphenyl central ring, reveals a doubly-peaked probability density Nike Blazers Sale Office function (p.d.f.), associated with a double-well potential function between two twisted conformations (φ = ± 13.3° on either side of the average molecular plane).

This p.d.f. is the pretransitional effect of an order-disorder transition which takes place at low-temperature. With a simple model averaging the intermolecular interactions, it is possible to separate in the overall libration on each site, at the bottoms of the double well, the contribution of the torsional g mode (θ2) = 35 deg2, responsible for the jumps above the barrier, from the contribution of the other modes (θ2) = 17.5... deg2. Thus it becomes possible to determine the parameters of the Nike Blazers Sale Low model describing the intermolecular, as well as the intramolecular interactions and to specify the non-sinusoidal shape of the intramolecular potential between two adjacent phenyl rings.

It is straightforward to extend the model to any p-polyphenyl molecule with any number of phenyl rings, by considering that the molecular packings Nike Cortez Shoes Price are the same in all the family. The model gives an estimate of the reorientational potential barrier heights V = 4.57 kJ mol-1 in p-terphenyl, V = 7.91 kJ mol-1 in p-quaterphenyl, in good agreement with NMR results; the calculated p.d.f. are doubly peaked and V.



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تاریخ انتشار : دو شنبه 12 مرداد 1394 | نظرات ()