TY  - JOUR
A1  - Megow, Jörg
T1  - How Van der Waals Interactions Influence the Absorption Spectra of Pheophorbide a Complexes: A Mixed Quantum-Classical Study
JF  - ChemPhysChem : a European journal of chemical physics and physical chemistry
N2  - The computation of dispersive site energy shifts due to van der Waals interaction (London dispersion forces) was combined with mixed quantum-classical methodology to calculate the linear optical absorption spectra of large pheophorbide a (Pheo) dendrimers. The computed spectra agreed very well with the measurements considering three characteristic optical features occurring with increasing aggregate size: a strong line broadening, a redshift, and a low-energy shoulder. The improved mixed quantum-classical methodology is considered a powerful tool in investigating molecular aggregates.
KW  - dispersion
KW  - electrostatic interactions
KW  - mixed quantum-classical methodology
KW  - optical spectra
KW  - supramolecular chemistry
Y1  - 2015
U6  - https://doi.org/10.1002/cphc.201500326
SN  - 1439-4235
SN  - 1439-7641
VL  - 16
IS  - 14
SP  - 3101
EP  - 3107
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Mehr, Fatemeh Naderi
A1  - Grigoriev, Dmitry
A1  - Heaton, Rebecca
A1  - Baptiste, Joshua
A1  - Stace, Anthony J.
A1  - Puretskiy, Nikolay
A1  - Besley, Elena
A1  - Böker, Alexander
T1  - Self-assembly behavior of oppositely charged inverse bipatchy microcolloids
JF  - Small : nano micro
N2  - A directed attractive interaction between predefined "patchy" sites on the surfaces of anisotropic microcolloids can provide them with the ability to self-assemble in a controlled manner to build target structures of increased complexity. An important step toward the controlled formation of a desired superstructure is to identify reversible electrostatic interactions between patches which allow them to align with one another. The formation of bipatchy particles with two oppositely charged patches fabricated using sandwich microcontact printing is reported. These particles spontaneously self-aggregate in solution, where a diversity of short and long chains of bipatchy particles with different shapes, such as branched, bent, and linear, are formed. Calculations show that chain formation is driven by a combination of attractive electrostatic interactions between oppositely charged patches and the charge-induced polarization of interacting particles.
KW  - electrostatic interactions
KW  - patchy particles
KW  - polyelectrolyte inks
KW  - sandwich microcontact printing
KW  - self-assembly
Y1  - 2020
U6  - https://doi.org/10.1002/smll.202000442
SN  - 1613-6810
SN  - 1613-6829
VL  - 16
IS  - 14
PB  - Wiley-VCH
CY  - Weinheim
ER  -