What do the azobenzene oligomer helixes have to do with the Golden Ratio?

Research output: Contribution to journal › Article

Abstract

Azobenzene (di-phenyl-diazene) is a widely-studied prototype for its photoisomerisation capability. Whereas the trans-azobenzene is perfectly planar, the cis conformer assumes an inherent helicity, caused by the steric hindrance of each of the two benzene rings. In this study we explore by first principle DFT calculations the structural, mechanical, and chiroptical properties (Electronic Circular Dichroism spectra, ECD) of n-(phenylazo)-azobenzenes (n=. 1-10) from a computational point of view. The idea is that these polymers may photo-switch from a "strip"-like conformation (when each monomer is trans) to a "spring"-like conformation (when each monomer is cis). By studying the mechanical properties of these photo-induced nano-springs, we surprisingly obtain a nexus between the geometrical and elastic parameters and the Golden Ratio.

Original language	English
Pages (from-to)	13-23
Number of pages	11
Journal	Computational and Theoretical Chemistry
Volume	1014
DOIs	https://doi.org/10.1016/j.comptc.2013.03.023
Publication status	Published - 5 Jun 2013
Externally published	Yes

Fingerprint

oligomers

Oligomers

helices

monomers

mechanical properties

Conformations

Monomers

dichroism

Photoisomerization

strip

switches

benzene

prototypes

Circular Dichroism

Benzene

Discrete Fourier transforms

Electronic properties

rings

Polymers

polymers

Keywords

Azobenzene derivatives
Density Functional Theory (DFT)
Golden Ratio
Photo-switcher

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Biochemistry
Condensed Matter Physics

Cite this

Benassi, E. (2013). What do the azobenzene oligomer helixes have to do with the Golden Ratio? Computational and Theoretical Chemistry, 1014, 13-23. https://doi.org/10.1016/j.comptc.2013.03.023

What do the azobenzene oligomer helixes have to do with the Golden Ratio? / Benassi, Enrico.

In: Computational and Theoretical Chemistry, Vol. 1014, 05.06.2013, p. 13-23.

Research output: Contribution to journal › Article

Benassi, E 2013, 'What do the azobenzene oligomer helixes have to do with the Golden Ratio?', Computational and Theoretical Chemistry, vol. 1014, pp. 13-23. https://doi.org/10.1016/j.comptc.2013.03.023

Benassi E. What do the azobenzene oligomer helixes have to do with the Golden Ratio? Computational and Theoretical Chemistry. 2013 Jun 5;1014:13-23. https://doi.org/10.1016/j.comptc.2013.03.023

Benassi, Enrico. / What do the azobenzene oligomer helixes have to do with the Golden Ratio?. In: Computational and Theoretical Chemistry. 2013 ; Vol. 1014. pp. 13-23.

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title = "What do the azobenzene oligomer helixes have to do with the Golden Ratio?",

abstract = "Azobenzene (di-phenyl-diazene) is a widely-studied prototype for its photoisomerisation capability. Whereas the trans-azobenzene is perfectly planar, the cis conformer assumes an inherent helicity, caused by the steric hindrance of each of the two benzene rings. In this study we explore by first principle DFT calculations the structural, mechanical, and chiroptical properties (Electronic Circular Dichroism spectra, ECD) of n-(phenylazo)-azobenzenes (n=. 1-10) from a computational point of view. The idea is that these polymers may photo-switch from a {"}strip{"}-like conformation (when each monomer is trans) to a {"}spring{"}-like conformation (when each monomer is cis). By studying the mechanical properties of these photo-induced nano-springs, we surprisingly obtain a nexus between the geometrical and elastic parameters and the Golden Ratio.",

keywords = "Azobenzene derivatives, Density Functional Theory (DFT), Golden Ratio, Photo-switcher",

author = "Enrico Benassi",

year = "2013",

month = "6",

day = "5",

doi = "10.1016/j.comptc.2013.03.023",

language = "English",

volume = "1014",

pages = "13--23",

journal = "Computational and Theoretical Chemistry",