| Publication Type |
Journal Article |
| Title |
Synthesis, characterisation and molecular hyperpolarisabilities of pseudo-octahedral hydrido(nitrile)iron(II) complexes for nonlinear optics: X-ray structure of [Fe(H)(dppe)(2)(4-NCC6H4NO2)][PF6].CH2Cl2 |
| Authors |
M Paula Robalo APS Teixeira M. Helena Garcia M.Fatima M.Piedade M. Teresa Duarte A. R. Dias Jochen Campo Wim Wenseleers Etienne Goovaerts |
| Groups |
|
| Journal |
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY |
| Year |
2006 |
| Month |
June |
| Volume |
|
| Number |
11 |
| Pages |
2175-2185 |
| Abstract |
A series of ionic pseudo-octahedral trans-hydrido(nitrile)iron(II) complexes with the general formula [Fe(H)(dppe)(2)(4-NCR)][PF6] [dppe = 1,2-bis(diphenylphosphanyl) ethane; R = acceptor-substituted conjugated ligand] have been synthesised by chloride abstraction from the starting compound trans-[FeHCI(dppe)(2)] and fully characterised. First hyperpolarisabilities (beta) have been determined by hyper-Rayleigh scattering (HRS) at the fundamental wavelength of 1072 nm and the high near-resonant values obtained (up to 1130 x 10(-30) esu) are interpreted in terms of the two-level model (TLM) and are correlated with IR and NMR spectroscopic data. Wavelength-dependent HRS has been performed in the 1072-1580 nm range for two of the compounds, namely [Fe(H)(dppe)(2)(4-NC(CH)(CH)C6H4NO2\][PF6] and [Fe(H)(dppe)(2)\4-NCC6H4(CH)(CH)C6H4NO2\][PF6]. These results clearly show the two-photon resonance but also the shortcomings of the TLM when it comes to deriving reliable static beta values. A structural study of the compound [Fe(H)(dppe)(2)(4-NCC6H4NO2)][PF6] by X-ray diffraction shows that it crystallises in the centrosymmetric monoclinic space group P2(1)/n, with four molecules in the unit cell and a pair-wise antiparallel alignment of the dipoles. |
| DOI |
http://dx.doi.org/10.1002/ejic.200501050 |
| ISBN |
|
| Publisher |
WILEY-V C H VERLAG GMBH |
| Book Title |
|
| ISSN |
1434-1948 |
| EISSN |
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| Conference Name |
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| Bibtex ID |
ISI:000238309600008 |
| Observations |
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