Assignment of Raman Intensities with DFT Calculations

For PTCDA, the modes with the largest calculated Huang-Rhys factors compare favourably with the observed resonant Raman spectra. More specifically, we found the following correspondence between the most prominent calculated (observed) breathing modes 233 (233) cm, 540 (537) cm, 627 (624) cm , 1347 (1303) cm-i, 1369 (1347) cm-i, 1412 (1379) cm-, 1612 (1572) cm-i. 

The deposition of several metals with different reactivity onto thin films of 

Upon the Ag and In deposition the totally symmetric modes are initially strongly enhanced. Subsequently the signal is attenuated exponentially with an exponent that is much smaller than the penetration depth of the incident radiation in a smooth closed metal film, reflecting a high level of roughness of the metal overlayer. On the other hand, the intensity of the normally infrared active modes relative to the Raman modes provides information on the metal diffusion depth in the organic films. 

This work was financially supported by the Deutsche Forschungsgemeinschaft within the OFET-SPP 1121 (Projects Za 146/14-2 and Scho 521/5-2). 

Scholz, Organic Semiconductors, in Encyclopedia of Condensed Matter 

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