Investigations of the J-aggregation of 1, 1'-diethyl-2, 2'-cyanine iodide in water by 2D NMR spectroscopy

ORGN 285

Irina A. Struganova, istruganova@mail.barry.edu, Department of Physical Sciences, Barry University, 11300 NE 2nd Avenue, Miami Shores, FL 33161
J-aggregates of cyanine dyes have been the subject of high interest in the scientific community for years due to their unique optical properties. However, most of the research was accomplished using the methods of optical spectroscopy. Optical spectroscopy does not provide adequate information on structural changes or changes in the electronic density distribution taking place during the aggregation. At the same time, these changes could be responsible for the unique optical properties of J-aggregates. We applied 2D NMR spectroscopy to investigate possible structural changes of 1,1'- diethyl-2,2'-cyanine (PIC) iodide associated with the appearance of the J-band in its absorption spectrum in water solutions. 2D spectra allowed to separate and to assign signals from all 6 aromatic protons of PIC and to identify which protons are the most affected by J-aggregation and thus to make some conclusions on the origin of the J-band in the absorption spectra of PIC aggregates.