A quantitative topological descriptor for linear co-oligomer fusion

Igor P. Koskin, Evgeny A. Mostovich, Enrico Benassi, Maxim S. Kazantsev

Research output: Contribution to journalArticle

Abstract

A purely topological descriptor for the quantitative classification of fully or partially fused linear quasi-one dimensional centre-symmetric molecules is proposed. The index also makes it possible to quantitatively correlate optoelectronic properties with the molecular topology without involving an explicit calculation of the molecular electronic structure.

Original languageEnglish
Pages (from-to)7235-7238
Number of pages4
JournalChemical Communications
Volume54
Issue number52
DOIs
Publication statusPublished - 1 Jan 2018
Externally publishedYes

Fingerprint

Molecular electronics
Oligomers
Optoelectronic devices
Molecular structure
Electronic structure
Fusion reactions
Topology
Molecules

ASJC Scopus subject areas

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Chemistry(all)
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

Cite this

A quantitative topological descriptor for linear co-oligomer fusion. / Koskin, Igor P.; Mostovich, Evgeny A.; Benassi, Enrico; Kazantsev, Maxim S.

In: Chemical Communications, Vol. 54, No. 52, 01.01.2018, p. 7235-7238.

Research output: Contribution to journalArticle

Koskin, Igor P. ; Mostovich, Evgeny A. ; Benassi, Enrico ; Kazantsev, Maxim S. / A quantitative topological descriptor for linear co-oligomer fusion. In: Chemical Communications. 2018 ; Vol. 54, No. 52. pp. 7235-7238.
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