0181448 - UFCH-W 20020115 RIV US eng J - Článek v odborném periodiku
Dey, S. - Jain, V. K. - Knödler, A. - Klein, A. - Kaim, W. - Záliš, Stanislav
Structural Basis for Unusually Long-Wavelenght Charge Transfer Transitions in Complexes [MCl(ECH2CH2NME2)(PR3)] (E=Te, Se; M=Pt, Pd): Experimental Results and TD-DFT Calculations.
Inorganic Chemistry. Roč. 41, č. 11 (2002), s. 2864-2870. ISSN 0020-1669. E-ISSN 1520-510X
Grant CEP: GA MŠMT ME 439; GA MŠMT OC D15.10
Výzkumný záměr: CEZ:AV0Z4040901
Klíčová slova: platinum (II( complexes * palladium (II) * spectroelectrochemistry
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.950, rok: 2002

A series of new complexes, the blue compounds [PdCl(TeCH2CH2NMe2)(PR3)] (PR3 = PEt3, PPr3n, PBu3n, PMe2Ph, PMePh2, PPh3, PTol(3)) and the red [PtCl(TeCH2CH2NMe2)(PR3)] (PR3 = PMe2Ph, PMePh2), were synthesized and studied spectroscopically (H-1 and P-31 NMR, UV/vis) and by cyclic voltammetry. The structures of [PdCl(TeCH2CH2NMe2)(PPr3n)] (2b) [PdCl(TeCH2CH2NMe2)(PMePh2)] (2e), [PtCl(TeCH2CH2NMe2)(PMePh2)] (2i), and the related [PtCl(SeCH2CH2NMe2)(PEt3)] (3) were determined crystallographically, revealing a typical pattern of trans-positioned neutral N and P donor atoms in an approximately square planar setting. The molecules 2b, 2e, and 2i were calculated by TD-DFT methodology to understand the origin of the weak (epsilon approximate to 200 M-1 cm(-1)) long-wavelength bands at about 600 nm for Pd/Te complexes such as 2b or 2e, at ca. 460 nm for Pt/Te systems such as 21, and at about 405 nm for Me analogues such as 3. These transitions are identified as charge transfer transitions.
Trvalý link: http://hdl.handle.net/11104/0001889