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.

Result code in IS VaVaI

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Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

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.

Original language description

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, revealinga 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.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2002

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

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Volume of the periodical

41

Issue of the periodical within the volume

11

Country of publishing house

US - UNITED STATES

Number of pages

7

Pages from-to

2864-2870

UT code for WoS article

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EID of the result in the Scopus database

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