0000000000014138
AUTHOR
Lucas Viani
Dynamics of guest molecules in PHTP inclusion compounds as probed by solid-state NMR and fluorescence spectroscopy.
Partially deuterated 1,4-distyrylbenzene () is included into the pseudohexagonal nanochannels of perhydrotriphenylene (PHTP). The overall and intramolecular mobility of is investigated over a wide temperature range by (13)C, (2)H NMR as well as fluorescence spectroscopy. Simulations of the (2)H NMR spectral shapes reveal an overall wobble motion of in the channels with an amplitude of about 4 degrees at T = 220 K and 10 degrees at T = 410 K. Above T = 320 K the wobble motion is superimposed by localized 180 degrees flips of the terminal phenyl rings with a frequency of 10(6) Hz at T = 340 K. The activation energies of both types of motions are around 40 kJ mol(-1) which imply a strong steri…
Twist-Elasticity-Controlled Crystal Emission in Highly Luminescent Polymorphs of Cyano-Substituted Distyrylbenzene (βDCS)
The occurrence of polymorphs in crystals of luminescent π-conjugated organic materials is an intriguing matter, particularly because polymorphs can give rise to widely different broadband and amplified emission properties. Here, a new, highly luminescent polymorph of cyano-substituted distyrylbenzene, being a prominent example of “twist elasticity”—the ability of a molecule to react to external constraints with substantial changes in the torsional coordinates, is investigated. The twist elasticity concept is fully explored here through molecular modeling by comparison of the new polymorph with two known ones exhibiting largely different intra- and intermolecular coordinates. In a second ste…
CCDC 1542079: Experimental Crystal Structure Determination
Related Article: Junqing Shi, Seong-Jun Yoon, Lucas Viani, Soo Young Park, Begoña Milián-Medina, Johannes Gierschner|2017|Adv.Opt.Mater.|5|1700340|doi:10.1002/adom.201700340