Considerations on correlation effects in π-electron systems

Kühn, Christoph; Kuhn, Hans

doi:10.1016/0379-6779(94)02282-4

Cited by 14 publications

(9 citation statements)

References 19 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…In the simplest, so-called metallic, model or the free electron model, proposed by Kuhn [89][90][91][92], Bayliss [93], Basu [94], Simpson [95], Ruedenberg [96], and Olszewski [97], it was suggested that the p electrons of the conjugated molecule are in the field of the s core and form an electron gas, as in a metal. Thus, the molecule can be represented as an ideal conductor of length L, and the movement of the free electron in it is described by standing electronic waves of sinusoidal form:…”

Section: Quantum-chemical Modellingmentioning

confidence: 99%

The Solitonic Nature of the Electronic Structure of the Ions of Linear Conjugated Systems

Kachkovskii

2005

Theor Exp Chem

View full text Add to dashboard Cite

Features of the electron density distribution in the ground and excited states, the position of the energy levels, and the equilibrium molecular geometry of the ions of linear p-electron systems, including conjugated polymers and oligomers, cationic and anionic polymethine dyes, and the radical-ions of a,w-substituted polyenes, are reviewed. By using the soliton concept it was possible to explain many unusual properties of this type of organic compound: The quasimetallic conductivity, the marked change in the spectral characteristics of ionic dyes absorbing and emitting light in the near IR region of the spectrum, etc. It was shown on the basis of semiempirical and nonempirical calculations that the charges in collective p-electronic systems form soliton waves, the width of which does not depend on the length of the molecule. In the excited state the size of the solitons increases significantly. The introduction of donor and acceptor terminal groups can destroy the symmetry of the charge distribution and molecular geometry at a conjugation chain of critical length exceeding the dimensions of the soliton. It was established that the injection of electrons/holes not only leads to the appearance of a soliton level at the center of the energy gap but is also accompanied by significant displacement of the top of the valence band and the bottom of the conduction band.

show abstract

Section: Quantum-chemical Modellingmentioning

confidence: 99%

The Solitonic Nature of the Electronic Structure of the Ions of Linear Conjugated Systems

Kachkovskii

2005

Theor Exp Chem

View full text Add to dashboard Cite

show abstract

“…This fact can be explained by an existence of the considerable alternation of the neighboring carbon-carbon bonds within a polymethine chain in both neutral polyenes and their dications [5,43,[100][101][102][103][104].…”

mentioning

confidence: 99%

Molecular design of near infrared polymethine dyes: A review

et al. 2015

View full text Add to dashboard Cite

“…[11] Hans Kuhn war sein Postdoktorand in den 1940er Jahren. [12] Amüsement weckt dagegen eher Paulings Vorschlag, anstatt Blut die großen australischen Angelwürmer als Porphyrinquelle zu verwenden. [13] Offenbar dachte er auch über die grundlegende Struktur der Porphyrine (1) nach.…”

Section: Kein Anderer Chemiker Unserer Zeit Hat Die Chemie Undunclassified

Extrovertierte Verwirrung – Linus Pauling, Melvin Calvin und Porphyrinisomere

Senge

2010

Angewandte Chemie

View full text Add to dashboard Cite

Porphyrine mögen verwirrt sein, aber nicht Linus Pauling oder Melvin Calvin – Calvin schlug 1943 „Carboporphyrine“ vor, und Pauling, dessen Portrait hier gezeigt ist, untersuchte 1944 die Existenz und Stabilität solch fundamentaler Porphyrine. Was er „Isoporphyrine“ mit „extrovertierten Pyrrolringen“ nannte, wird heute als „N‐confused“ (N‐invertierte) Porphyrine bezeichnet. 1994 wurden sie schließlich von Furuta, Latos‐Grażyński et al. nachgewiesen.

show abstract

Considerations on correlation effects in π-electron systems

Cited by 14 publications

References 19 publications

The Solitonic Nature of the Electronic Structure of the Ions of Linear Conjugated Systems

The Solitonic Nature of the Electronic Structure of the Ions of Linear Conjugated Systems

Molecular design of near infrared polymethine dyes: A review

Extrovertierte Verwirrung – Linus Pauling, Melvin Calvin und Porphyrinisomere

Contact Info

Product

Resources

About