Journal ArticleDOI
Neuere Untersuchungen über das Elektronengasmodell organischer Farbstoffe
TLDR
In this article, Elektronengasmodelle of Farbstoffen (Cyanine, Polyene, Polyacetylene, Acridine, Xanthene, Oxazine, Azine, Bacteriochlorophyll, Phthalocyanin, Azulen) are beschrieben.Abstract:
Die Farbe organischer Verbindungen hangt von strukturellen Einzelheiten des Molekuls ab. Es werden Elektronengasmodelle von Farbstoffen (Cyanine, Polyene, Polyacetylene, Acridine, Xanthene, Oxazine, Azine, Bacteriochlorophyll, Phthalocyanin, Azulen) beschrieben. Die Zustande von π-Elektronen werden durch eindimensionale Elektronenwellen entlang der Molekulkette (eindimensionales Modell) bzw. durch Wellenfunktionen, die sich uber die Molekulebene erstrecken, (zweidimensionales Modell) dargestellt. Energiewerte und Wellenfunktionen der Elektronen lassen sich mit Hilfe eines neu entwickelten Analogrechners ermitteln, und daraus konnen Lage, Starke und Form der Absorptionsbanden berechnet werden. Beide Modelle zeigen, das z. B. in langkettigen Polyenen ein ebenso ausgepragter Unterschied zwischen alternierend auftretenden langen und kurzen Bindungen vorhanden ist wie im Butadien.read more
Citations
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Determination of ionisation constants of nitrobenzidines
TL;DR: The ionisation constants of 2-nitrobenzidine, 2,2'-dinitrobenzinzidine and 2,3'dinitronzidine were determined spectrophotometrically in 33-3% (w/w) methanol as mentioned in this paper.
Book ChapterDOI
Chapter 6 Fascination in modeling motifs
TL;DR: This chapter presents the personal recollections of Hans Kuhn, who was fascinated by theoretical modeling and searching for lucidity and simplicity because he was a PhD student and attempting to invent models that are as simple as possible but still including essential points to describe complex phenomena.
Book ChapterDOI
Electronic Structure and Static Electric Dipole Polarizability of Acetylenic Analogs of Carbocyanines
TL;DR: In this paper, the equilibrium geometry and electric polarizability of a model acetylenic cyanine are compared with those of three isoelectronic molecules and the corresponding carbocyanine.
Electrochemical reduction of 2-nitrobenzidine in methanol-water mixtures
TL;DR: In this paper, a diphenoquinone-diimine intermediate is suggested in the mechanism of 2-NB reduction in methanol-water mixtures, based on the results obtained.
References
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Journal ArticleDOI
A Quantum‐Mechanical Theory of Light Absorption of Organic Dyes and Similar Compounds
TL;DR: In this paper, it was shown that the position of the absorption maxima of symmetrical polymethines and related compounds (symmetrical cyanine and oxanole dyes; Michler's hydrol blue and derivatives; malachite green and other triphenyl methane dyes, etc.) can be calculated by adopting a model of the dye molecule which is analogous to the free-electron gas model used in particular by Sommerfeld to describe the condition of metals.
Journal ArticleDOI
Tables of interatomic distances and molecular configurations obtained by electron diffraction in the gas phase
P. W. Allen,L. E. Sutton +1 more
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The Electronic Structure of Some Polyenes and Aromatic Molecules. I. The Nature of the Links by the Method of Molecular Orbitals
TL;DR: In this article, the authors considered the relationship between the nature and the lengths of links in typical organic molecules, and derived an empirical relation between them from the coefficients which occur in the linear sum of canonical structures.
Journal ArticleDOI
Elektronengasmodell zur quantitativen Deutung der Lichtabsorption von organischen Farbstoffen I
TL;DR: In this article, the Lage des Maximums der ersten (im Sichtbaren liebenden) Absorptionsbande von symmetrischen Cyaninfarbstoffen wird ermittelt unter Zugrundelegung eines Modells der Farbstoffmolekel, which analog ist zu dem insbesondere von Sommerfeld als Modell fur das Metall verwendeten Bild des freien Elektronengases.
Journal ArticleDOI
Molecular Orbital Calculations on Porphine and Tetrahydroporphine
TL;DR: The first three electronic transitions of porphine and tetrahydroporphine are predicted as simple one-electron LCAO molecular orbital transitions with overlap included.