A new 1D complex has been prepared and characterized. X-ray single crystal structure confirms that the Cu(II) ions assemble in alternating chains with Cu … Cu distances of 2.5685(4) and 3.1760(4) Å. The temperature dependence of the magnetic susceptibility reveals an antiferromagnetic interaction between the paddle-wheel copper centers with an exchange of −300 cm−1. The exchange integral was also determined by quantum chemical ab-initio calculations, using polarised and unpolarised basis sets reproducing well the experimental value. The second harmonic generation efficiency of a concomitantly crystallized material was evaluated and was found to be comparable to urea.
|Number of pages||7|
|Journal||Solid State Sciences|
|Publication status||Published - Mar 2016|
This work was supported by the Fundo Europeu de Desenvolvimento Regional-QREN-Compete– Fundação para a Ciência e Tecnologia (FCT) (Grant number: PTDC/FIS/102284/2008). P.M.R. would like to gratefully acknowledge the financial support of Santander Universidades through “Becas Iberoamérica Jóvenes Profesores e Investigadores. España 2015” scholarship program.
- Antiferromagnetic interaction
- Cu(II) complexes
- Nitrophenylacetic acid
- Paddle-wheel conformation
- Second harmonic generation
- X-ray structure