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Syntheses, crystal structures, optical limiting properties, and DFT calculations of three thiophene-2-aldazine Schiff base derivatives

Mohamed Ghazzali (Institutionen för kemi- och bioteknik, Fysikalisk kemi) ; Vratislav Langer (Institutionen för kemi- och bioteknik, Oorganisk miljökemi) ; Cesar Lopes ; Anders Eriksson ; Lars Öhrström (Institutionen för kemi- och bioteknik, Fysikalisk kemi)
New Journal of Chemistry (1144-0546). Vol. 31 (2007), 10, p. 1777-1784.
[Artikel, refereegranskad vetenskaplig]

The syntheses, characterizations and structural determinations of N,N'-bis(thiophenyl-2- methylene)hydrazine 1, N,N'-bis(4-bromothiophenyl-2-methylene)hydrazine 2 and N,N'- bis(5-bromothiophenyl-2-methylene)hydrazine 3 are presented. The materials show third-order nonlinear behaviour with transmissions of 20, 22 and 18 μJ for an input energy of 150 μJ. The 4- and 5-bromothiophenic structures show Br...Br interactions of 3.562 and 3.626 Å, respectively. Analysis of bromine containing aromatic compounds in the Cambridge Crystallographic Database (CSD) showed the expected angle dependences of the Br...Br interactions dividing these into ‘‘type I’’ and ‘‘type II’’. A semi-quantitative agreement was found between the CSD data and a model derived form calculated electrostatic potentials.

Nyckelord: X-ray structure analysis, nonlinear optical limiting properties, DFT

Denna post skapades 2007-10-17. Senast ändrad 2014-11-10.
CPL Pubid: 54765


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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Fysikalisk kemi (2005-2014)
Institutionen för kemi- och bioteknik, Oorganisk miljökemi (2005-2014)


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