Morphology directing synthesis of benzo[a]pyrene microstructures and their photo physical properties

作者：Das Debasish; Sahoo Gobinda P; Mazumdar Prativa; Maity Asim; Chattopadhyay Dipankar; Salgado Moran Guillermo; Misra Ajay^*

来源：Journal of Molecular Liquids, 2015, 206: 47-55.

DOI：10.1016/j.molliq.2015.01.044

• Benzo[a]pyrene
• Micro crystal
• UV-Vis
• Fluorescence
• DFT
• Fukui function

Morphologically interesting microstructures of benzo[a]pyrene (BaP) have been synthesized using sodium dodecyl sulfate (SDS) as morphology directing agent. Here we have presented a reprecipitation method to synthesize cube, rectangular bar, square rod and rectangular plate shaped microstructures of benzo[a]pyrene. Morphology of the materials has been characterized using optical microscopy and SEM measurements. UV-Vis absorption, fluorescence emission and computational study revealed that the neighboring BaP molecules are arranged in slipped head to head arrangement in its aggregated structures. Computation of second order Fukui parameter as local reactivity descriptor on each atomic center of the titled compound also substantiate that neighboring BaP molecules are arranged in parallel face to face slipped conformation in its aggregated structures and this is In conformity with the crystal structure of BaP.

• 出版日期2015-6