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UV-Vis spectra

Molecules

PhotochemCAD online, see also PhotochemCAD program


G Heimel, M Daghofer, J Gierschner, E J W List, A C Grimsdale, K Mullen, D Beljonne, J L Bredas, E Zojer, Breakdown of the mirror image symmetry in the optical absorption/emission spectra of oligo(para-phenylene)s, JCP 122, 054501 (2005)

M Dierksen, S Grimme, The vibronic structure of electronic absorption spectra of large molecules: a time-dependent density functional study on the influence of "exact" Hartree-Fock exchange, JPCA 108, 10225 (2004)

S Karabunarliev, M Baumgarten, E R Bittner, K Mullen, Rigorous Franck-Condon absorption and emission spectra of conjugated oligomers from quantum chemistry, JCP 113, 11372 (2000)

Multimers and solids

N Zarrabi, O Sandberg, P Meredith, A Armin, Subgap Absorption in Organic Semiconductors, JPCL 14, 3174 (2023) – doi

N J Hestand, F C Spano, Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer, CR 118, 7069 (2018)

N Hestand, F Spano, Molecular Aggregate Photophysics beyond the Kasha Model: Novel Design Principles for Organic Materials, ACR 50, 341 (2017)

F C Spano, C Silva, H- and J-Aggregate Behavior in Polymeric Semiconductors, ARPC 65, 477 (2014)

F C Spano, The spectral signatures of Frenkel polarons in H- and J-aggregates, ACR 43, 429 (2010)

F C Spano, Excitons in conjugated oligomer aggregates, films, and crystals, ARPC 57, 217 (2006)


S Inanlou, R Cortes-Mejia, A Ozdemir, S Hofener, W Klopper, W Wenzel, W Xie, M Elstner, Understanding excited state properties of host materials in OLEDs: simulation of absorption spectrum of amorphous 4,4-bis(carbazol-9-yl)-2,2-biphenyl (CBP), PCCP 24, 4576 (2022)

H Tamura, I Hamada, H Shang, K Oniwa, M Akhtaruzzaman, T Jin, N Asao, Y Yamamoto, T Kanagasekaran, H Shimotani, S Ikeda, K Tanigaki, Theoretical Analysis on the Optoelectronic Properties of Single Crystals of Thiophene-furan-phenylene Co-Oligomers: Efficient Photoluminescence due to Molecular Bending, JPCC 117, 8072 (2013)

P Ottiger, S Leutwyler, H Koppel, Vibrational quenching of excitonic splittings in H-bonded molecular dimers: The electronic Davydov splittings cannot match experiment, JCP 136, 174308 (2012)

A Piaggi, G Lanzani, G Bongiovanni, A Mura, W Graupner, F Meghdadi, G Leising, M Nisoli, Emission properties of para-hexaphenyl polycrystalline films, PRB 56, 10133 (1997)

M R Philpott, Theory of the Coupling of Electronic and Vibrational Excitations in Molecular Crystals and Helical Polymers, JCP 55, 2039 (1971)