Syntheses, crystal structures, optical limiting properties, and DFT calculations of three thiophene-2-aldazine Schiff base derivatives
Artikel i vetenskaplig tidskrift, 2007

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.

X-ray structure analysis

DFT

nonlinear optical limiting properties

Författare

Mohamed I D M Ghazzali

Chalmers, Kemi- och bioteknik, Fysikalisk kemi

Vratislav Langer

Chalmers, Kemi- och bioteknik, Oorganisk miljökemi

Cesar Lopes

Anders Eriksson

Lars Öhrström

Chalmers, Kemi- och bioteknik, Fysikalisk kemi

New Journal of Chemistry

1144-0546 (ISSN) 1369-9261 (eISSN)

Vol. 31 10 1777-1784

Ämneskategorier

Fysikalisk kemi

Teoretisk kemi

Kemi

Organisk kemi

DOI

10.1039/b704009a

Mer information

Skapat

2017-10-07