Refine
Year of publication
- 2011 (2047) (remove)
Document Type
- Article (1322)
- Doctoral Thesis (289)
- Monograph/Edited Volume (165)
- Review (96)
- Postprint (67)
- Conference Proceeding (29)
- Other (21)
- Master's Thesis (15)
- Part of Periodical (13)
- Preprint (9)
Language
Keywords
- Deutschland (17)
- Bürgerschaft (16)
- Germany (16)
- Integration (16)
- International Politics (16)
- Internationale Politik (16)
- Migration (16)
- Politische Theorie (16)
- Afghanistan (15)
- Friedens- und Konfliktforschung (14)
Institute
- Institut für Biochemie und Biologie (242)
- Institut für Physik und Astronomie (187)
- Institut für Chemie (176)
- Institut für Geowissenschaften (141)
- Institut für Romanistik (141)
- Wirtschaftswissenschaften (104)
- Department Psychologie (79)
- Sozialwissenschaften (73)
- MenschenRechtsZentrum (72)
- WeltTrends e.V. Potsdam (70)
Configuraciones del convivir: algunos apuntes sobre el cruce teorico de la novela y el Caribe
(2011)
Based on the analysis of optical absorption spectra, it has recently been speculated that the excitonic coupling between individual azobenzene-functionalized alkanethiols arranged in a self-assembled monolayer (SAM) on a gold surface could be strong enough to hinder collective trans-cis isomerization-on top of steric hindrance [Gahl et al., J. Am. Chem. Soc., 2010, 132, 1831]. Using models of SAMs of increasing complexity (dimer, linear N-mers, and two-dimensionally arranged N-mers) and density functional theory on the (TD-) B3LYP/6-31G* level, we determine optical absorption spectra, the nature and magnitude of excitonic couplings, and the corresponding spectral shifts. It is found that at inter-monomer distances of about 20 angstrom and above, TD-B3LYP excitation frequencies (and signal intensities) can be well described by the frequently used point-dipole approximation. Further, calculated blue shifts in optical absorption spectra account for the experimental observations made for azobenzene/gold SAMs, and hint to the fact that they can indeed be responsible for reduced switching probability in densely packed self-assembled structures.
Ganz oder gar nicht!
(2011)