Theoretical investigation of electronic and molecular structures of bithiopyranylidene and related conducting complexes

J.P. Boutique; Jacques Verbist; Joseph Fripiat; Joseph Delhalle

doi:10.1039/P29840000239

Theoretical investigation of electronic and molecular structures of bithiopyranylidene and related conducting complexes

J.P. Boutique, Jacques Verbist, Joseph Fripiat, Joseph Delhalle

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Résumé

Electronic structures of bipyranylidene (BIPO)and bithiopyranylidene (BIPS) have been investigated by means of ab initio theoretical calculations. Evolution of the molecular structures of bithiopyranylidene and related compounds upon substitution and doping with electron acceptors (iodine, TCNQ)are explained on the basis of Molecular Orbital theory.

langue originale	Anglais
Pages (de - à)	239-243
Nombre de pages	5
journal	Journal of the Chemical Society. Perkin Transactions 2
Numéro de publication	2
Les DOIs	https://doi.org/10.1039/P29840000239
Etat de la publication	Publié - 1984

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10.1039/P29840000239

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@article{27f69d9a3bdc4b0999cab8c30b0d6eda,

title = "Theoretical investigation of electronic and molecular structures of bithiopyranylidene and related conducting complexes",

abstract = "Electronic structures of bipyranylidene (BIPO)and bithiopyranylidene (BIPS) have been investigated by means of ab initio theoretical calculations. Evolution of the molecular structures of bithiopyranylidene and related compounds upon substitution and doping with electron acceptors (iodine, TCNQ)are explained on the basis of Molecular Orbital theory.",

author = "J.P. Boutique and Jacques Verbist and Joseph Fripiat and Joseph Delhalle",

note = "Publication code : **RES. ACAD.",

year = "1984",

doi = "10.1039/P29840000239",

language = "English",

pages = "239--243",

journal = "Journal of the Chemical Society. Perkin Transactions 2",

issn = "0300-9580",

publisher = "Chemical Society",

number = "2",

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TY - JOUR

T1 - Theoretical investigation of electronic and molecular structures of bithiopyranylidene and related conducting complexes

AU - Boutique, J.P.

AU - Verbist, Jacques

AU - Fripiat, Joseph

AU - Delhalle, Joseph

N1 - Publication code : **RES. ACAD.

PY - 1984

Y1 - 1984

N2 - Electronic structures of bipyranylidene (BIPO)and bithiopyranylidene (BIPS) have been investigated by means of ab initio theoretical calculations. Evolution of the molecular structures of bithiopyranylidene and related compounds upon substitution and doping with electron acceptors (iodine, TCNQ)are explained on the basis of Molecular Orbital theory.

AB - Electronic structures of bipyranylidene (BIPO)and bithiopyranylidene (BIPS) have been investigated by means of ab initio theoretical calculations. Evolution of the molecular structures of bithiopyranylidene and related compounds upon substitution and doping with electron acceptors (iodine, TCNQ)are explained on the basis of Molecular Orbital theory.

U2 - 10.1039/P29840000239

DO - 10.1039/P29840000239

M3 - Article

SN - 0300-9580

SP - 239

EP - 243

JO - Journal of the Chemical Society. Perkin Transactions 2

JF - Journal of the Chemical Society. Perkin Transactions 2

IS - 2

ER -

Theoretical investigation of electronic and molecular structures of bithiopyranylidene and related conducting complexes

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