 |
 |
1 |
2 |
X-RAY DIFFRACTION STUDIES ON MOLECULAR MATERIALS BASED ON [Fe(5-C5H5)(L)(L')(p-NCC6H4NO2)]+ DERIVATIVES (L AND L'=CO, P(OC6H5)3, P(CH3)3) WITH POTENTIAL NLO PROPERTIES
M. Teresa Duarte1, A.R. Dias1 , M. Helena Garcia1,2, M. Fátima Piedade1,2, M. Paula Robalo1,3 and António P.S. Teixeira1,3
1Centro de Química
Estrutural, Comp. I, I.S.T., Av. Rovisco Pais, 1096 Lisboa Codex,
Portugal
2Fac. de Ciencias da Univ. de Lisboa,
Ed. C1, R. Ernesto Vasconcelos, 1700 Lisboa, Portugal
3Dep. Química, Univ.
de Évora, Colégio Luís Verney, R. Romao Ramalho, 7000 Évora,
Portugal
Organometallic chemistry has emerged in the last ten years as a interesting research area on the development of new materials with potential non-linear optical applications, namely Second Harmonic Generation (SHG) 1-4.
Solid state effects play an important role in the nonlinear optical properties of materials, namely SHG effects and with this aim, crystallographic studies by X-ray diffraction in single crystals may give an important contribution to the study of these effects.
In this paper we report the x-ray diffraction studies on some compounds of the FeCp(L)(L')(p-NCC6H4R)PF6 family, where (L,L'= CO, P(OC6H5)3, P(CH3)3, P(C6H5)3 and R = N(CH3)2, NO2). These compounds were synthesised and fully characterised in order to study the role played by phosphorus coligands and/or carbonyl groups in the electronic properties (donor/acceptor ability) of the metallic (Fe(II)) fragment and explore its potentialities in the donor- system-acceptor conjugation. This has enabled us to get some understanding on the relationship between the donor-acceptor ability of metallic fragment and the non-linear optical properties.
Compound
1, FeCp(P(OPh)3(PMe3)(p-NCC6H4R)PF6
crystallises in the monoclinic space group P21/c, a=
10.4938(6), b=18.9715(7),c=17.871(1)A, b=98.22(5)o
while compound
2, FeCp(P(OPh)3(CO)(p-NCC6H4R)BF4.CH2Cl2
crystallises in the triclinic space group P-1, a= 9.778(1),
b=10.636(6), c=18.664(1)A, a=
94.55(1), b =96.59(1),g = 115.32(1)o.
|
|
1 |
2 |