The unoccupied electronic structure of the semi-conducting room temperature molecular magnet V(TCNE)2

Elin Carlegrim; Anna Kanciurzewska; Michel P. de Jong; Carl Tengstedt; Mats Fahlman

doi:10.1016/j.cplett.2007.12.049

The unoccupied electronic structure of the semi-conducting room temperature molecular magnet V(TCNE)₂

Elin Carlegrim^*
, Anna Kanciurzewska
, Michel P. de Jong
, Carl Tengstedt
, Mats Fahlman

^*Corresponding author for this work

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

13 Citations (Scopus)

Abstract

The unoccupied electronic structure of the organic-based magnet V(TCNE)_x (TCNE = tetracyanoethylene, x ∼ 2) has been studied with near edge X-ray absorption fine structure (NEXAFS) and with photoelectron spectroscopy (PES). By studying V(TCNE)_x upon sodium-doping, the electron-accepting state, i.e., the lowest unoccupied molecular orbital (LUMO) of V(TCNE)_x was shown mainly to be localized on (TCNE)^--units in contrast to the hole-accepting state, i.e., the highest occupied molecular orbital (HOMO), which previously was assigned primarily to be V(3d)-derived. This study also showed that there are trap states for electron transport located below the (TCNE)^2- level, likely leading to decreased electron mobility.

Original language	English
Pages (from-to)	173-177
Number of pages	5
Journal	Chemical physics letters
Volume	452
Issue number	1-3
Early online date	10 Jan 2008
DOIs	https://doi.org/10.1016/j.cplett.2007.12.049
Publication status	Published - 4 Feb 2008
Externally published	Yes

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10.1016/j.cplett.2007.12.049

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title = "The unoccupied electronic structure of the semi-conducting room temperature molecular magnet V(TCNE)2",

abstract = "The unoccupied electronic structure of the organic-based magnet V(TCNE)x (TCNE = tetracyanoethylene, x ∼ 2) has been studied with near edge X-ray absorption fine structure (NEXAFS) and with photoelectron spectroscopy (PES). By studying V(TCNE)x upon sodium-doping, the electron-accepting state, i.e., the lowest unoccupied molecular orbital (LUMO) of V(TCNE)x was shown mainly to be localized on (TCNE)--units in contrast to the hole-accepting state, i.e., the highest occupied molecular orbital (HOMO), which previously was assigned primarily to be V(3d)-derived. This study also showed that there are trap states for electron transport located below the (TCNE)2- level, likely leading to decreased electron mobility.",

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author = "Elin Carlegrim and Anna Kanciurzewska and \{de Jong\}, \{Michel P.\} and Carl Tengstedt and Mats Fahlman",

note = "Funding Information: The authors acknowledge financial support from the Swedish Research Council (VR), the Carl Tryggers Foundation and the Swedish Foundation for Strategic Research funded Center for Advanced Molecular Materials, CAMM.",

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doi = "10.1016/j.cplett.2007.12.049",

language = "English",

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T1 - The unoccupied electronic structure of the semi-conducting room temperature molecular magnet V(TCNE)2

AU - Carlegrim, Elin

AU - Kanciurzewska, Anna

AU - de Jong, Michel P.

AU - Tengstedt, Carl

AU - Fahlman, Mats

N1 - Funding Information: The authors acknowledge financial support from the Swedish Research Council (VR), the Carl Tryggers Foundation and the Swedish Foundation for Strategic Research funded Center for Advanced Molecular Materials, CAMM.

PY - 2008/2/4

Y1 - 2008/2/4

N2 - The unoccupied electronic structure of the organic-based magnet V(TCNE)x (TCNE = tetracyanoethylene, x ∼ 2) has been studied with near edge X-ray absorption fine structure (NEXAFS) and with photoelectron spectroscopy (PES). By studying V(TCNE)x upon sodium-doping, the electron-accepting state, i.e., the lowest unoccupied molecular orbital (LUMO) of V(TCNE)x was shown mainly to be localized on (TCNE)--units in contrast to the hole-accepting state, i.e., the highest occupied molecular orbital (HOMO), which previously was assigned primarily to be V(3d)-derived. This study also showed that there are trap states for electron transport located below the (TCNE)2- level, likely leading to decreased electron mobility.

AB - The unoccupied electronic structure of the organic-based magnet V(TCNE)x (TCNE = tetracyanoethylene, x ∼ 2) has been studied with near edge X-ray absorption fine structure (NEXAFS) and with photoelectron spectroscopy (PES). By studying V(TCNE)x upon sodium-doping, the electron-accepting state, i.e., the lowest unoccupied molecular orbital (LUMO) of V(TCNE)x was shown mainly to be localized on (TCNE)--units in contrast to the hole-accepting state, i.e., the highest occupied molecular orbital (HOMO), which previously was assigned primarily to be V(3d)-derived. This study also showed that there are trap states for electron transport located below the (TCNE)2- level, likely leading to decreased electron mobility.

KW - n/a OA procedure

UR - https://www.scopus.com/pages/publications/38649107691

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DO - 10.1016/j.cplett.2007.12.049

M3 - Article

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EP - 177

JO - Chemical physics letters

JF - Chemical physics letters

IS - 1-3

ER -

The unoccupied electronic structure of the semi-conducting room temperature molecular magnet V(TCNE)₂

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