The electronic structure of metallated phthalocyanine-NO2 adducts

R. Rousseau; A. Ozarowski; R. Aroca; L. de; M. Trsic

doi:10.1016/0022-2860(93)07887-3

The electronic structure of metallated phthalocyanine-NO₂ adducts

R. Rousseau, A. Ozarowski, R. Aroca, L. de, M. Trsic

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The electronic structure of the adduct formed by a metal complex of cobalt, nickel and copper phthalocyanine (MPc) and NO₂ has been studied using molecular orbital methods and EPR spectroscopy. It is shown that the NO₂ molecule interacts with Pc complexes through the metal atom and the most favourable structure involves MNO₂ or MONO coordination with a charge transfer to the NO₂. EPR experiments were carried out using Co, Ni and Cu tetra-tert-butyl Pc complexes (MPc^t). The signal of Co and Cu complexes became EPR silent after the reaction of the NO₂.

Original language	English
Pages (from-to)	287-297
Number of pages	11
Journal	Journal of Molecular Structure
Volume	317
Issue number	3
DOIs	https://doi.org/10.1016/0022-2860(93)07887-3
State	Published - Feb 10 1994
Externally published	Yes

Funding

Financial supportf rom NSERC of Canadaa nd CNPQ, CAPES and FINEP of Brazil is gratefully acknowledgedW. e thankD r. M.T.P. Gambardella for the initial CuPc geometryu sedi n ZINDO.

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10.1016/0022-2860(93)07887-3

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abstract = "The electronic structure of the adduct formed by a metal complex of cobalt, nickel and copper phthalocyanine (MPc) and NO2 has been studied using molecular orbital methods and EPR spectroscopy. It is shown that the NO2 molecule interacts with Pc complexes through the metal atom and the most favourable structure involves MNO2 or MONO coordination with a charge transfer to the NO2. EPR experiments were carried out using Co, Ni and Cu tetra-tert-butyl Pc complexes (MPct). The signal of Co and Cu complexes became EPR silent after the reaction of the NO2.",

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T1 - The electronic structure of metallated phthalocyanine-NO2 adducts

AU - Rousseau, R.

AU - Ozarowski, A.

AU - Aroca, R.

AU - de, L.

AU - Trsic, M.

PY - 1994/2/10

Y1 - 1994/2/10

N2 - The electronic structure of the adduct formed by a metal complex of cobalt, nickel and copper phthalocyanine (MPc) and NO2 has been studied using molecular orbital methods and EPR spectroscopy. It is shown that the NO2 molecule interacts with Pc complexes through the metal atom and the most favourable structure involves MNO2 or MONO coordination with a charge transfer to the NO2. EPR experiments were carried out using Co, Ni and Cu tetra-tert-butyl Pc complexes (MPct). The signal of Co and Cu complexes became EPR silent after the reaction of the NO2.

AB - The electronic structure of the adduct formed by a metal complex of cobalt, nickel and copper phthalocyanine (MPc) and NO2 has been studied using molecular orbital methods and EPR spectroscopy. It is shown that the NO2 molecule interacts with Pc complexes through the metal atom and the most favourable structure involves MNO2 or MONO coordination with a charge transfer to the NO2. EPR experiments were carried out using Co, Ni and Cu tetra-tert-butyl Pc complexes (MPct). The signal of Co and Cu complexes became EPR silent after the reaction of the NO2.

UR - https://www.scopus.com/pages/publications/0000186871

U2 - 10.1016/0022-2860(93)07887-3

DO - 10.1016/0022-2860(93)07887-3

M3 - Article

AN - SCOPUS:0000186871

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VL - 317

SP - 287

EP - 297

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

IS - 3

ER -

The electronic structure of metallated phthalocyanine-NO₂ adducts

Abstract

Funding

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