The synthesis and structural study of two benzothiazolyl azo dyes: X-ray crystallographic and computational study of azo–hydrazone tautomerism
G Pavlović, L Racane, H Čičak, V Tralić-Kulenović - Dyes and Pigments, 2009 - Elsevier
The synthesis, FT-IR, 1H and 13C NMR characterisation, as well as crystal and molecular
structure determined by single-crystal X-ray diffraction data, of two azo dyes derived from 6 …
structure determined by single-crystal X-ray diffraction data, of two azo dyes derived from 6 …
Comparison of the Auxiliary Density Perturbation Theory and the Noniterative Approximation to the Coupled Perturbed Kohn− Sham Method: Case Study of the …
We present a theoretical study of the polarizabilities of free and disubstituted azoarenes
employing auxiliary density perturbation theory (ADPT) and the noniterative approximation …
employing auxiliary density perturbation theory (ADPT) and the noniterative approximation …
The choice of appropriate density functional for the calculation of static first hyperpolarizability of azochromophores and stacking dimers
OD Fominykh, AV Sharipova… - International Journal of …, 2016 - Wiley Online Library
The effect of the stacked azo‐chromophore dimer formation on the values of static first
hyperpolarizability is studied in the framework of the DFT‐based approach; calculations …
hyperpolarizability is studied in the framework of the DFT‐based approach; calculations …
Alignment and Relaxation Dynamics of Dye Molecules in Host− Guest Inclusion Compounds As Probed by Dielectric Spectroscopy
J Tsuwi, R Berger, G Labat, G Couderc… - The Journal of …, 2010 - ACS Publications
The alignment and relaxation dynamics of a polar dye molecule, N, N-dimethyl-4 (4-
nitrophenylazo) aniline (DNAA), in zeolite L and perhydrotriphenylene (PHTP) channels …
nitrophenylazo) aniline (DNAA), in zeolite L and perhydrotriphenylene (PHTP) channels …
Matching molecular and optical multipoles in photoisomerizable nonlinear systems
R Piron, S Brasselet, D Josse, J Zyss, G Viscardi… - JOSA B, 2005 - opg.optica.org
We experimentally investigate the coupling rules between molecules and optical fields in the
all-optical poling scheme. The efficiency and symmetry of the photoinduced quadratic …
all-optical poling scheme. The efficiency and symmetry of the photoinduced quadratic …
The effect of stacking arrangement on the conjugation in azochromophores revealed by combination of Raman spectroscopy and DFT calculations
OD Fominykh, MY Balakina, TI Burganov… - Chemical Physics …, 2016 - Elsevier
Conjugation in azochromophores DR, DO3, DR1, and their stacking dimers was studied to
clarify physical factors underlying strong influence of stacking dimerization on first …
clarify physical factors underlying strong influence of stacking dimerization on first …
PM3 semiempirical study and its comparison with X-ray crystal structure of 4-[2-Methyl-4-(4-methoxyphenylazo)] phenoxyphtalonitrile
The molecular and crystal structures of the title compound, C 22 H 16 N 4 O 2, were
determined by single crystal X-ray diffraction technique. The title compound crystallizes in …
determined by single crystal X-ray diffraction technique. The title compound crystallizes in …
Molecular recognition at growing crystal faces revealed by phase sensitive second harmonic microscopy
H Aboulfadl, M Bonin, M Burgner, K Brahimi… - RSC advances, 2013 - pubs.rsc.org
The absolute orientation of the local average polarization in relation to the main crystal
growth direction has been investigated for channel-type inclusions of perhydrotriphenylene …
growth direction has been investigated for channel-type inclusions of perhydrotriphenylene …
Desynchronization of Pedal Motion: Crystallographic and Theoretical Study of (E)-4-[(4-ethylphenyl)diazenyl]-2-methylphenol
The single crystal X-ray diffraction analysis of the title compound, C 15 H 16 N 2 O, reveals
that its molecules exhibit whole-molecule disorder at both crystal lattice sites due to pedal …
that its molecules exhibit whole-molecule disorder at both crystal lattice sites due to pedal …
Alignment of PHTP–DNAA inclusion crystals by zone casting
T Makowski, R Berger, H Aboulfadl, J Hulliger, A Tracz - Optical Materials, 2011 - Elsevier
Inclusion compound of perhydrotriphenylene (PHTP) and polar N, N-dimethyl-4 (4-
nitrophenylazo)-aniline was grown from solution into oriented crystalline layers using a zone …
nitrophenylazo)-aniline was grown from solution into oriented crystalline layers using a zone …