Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies

T.C. Gunaratne; A.V. Gusev; X. Peng; A. Rosa; G. Ricciardi; E.J. Baerends; C. Rizzoli; M.E. Kenney; M.A. Rodgers

doi:10.1021/jp0457444

Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies

T.C. Gunaratne, A.V. Gusev, X. Peng, A. Rosa, G. Ricciardi, E.J. Baerends, C. Rizzoli, M.E. Kenney, M.A. Rodgers

Theoretical Chemistry

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

Abstract

Reported herein is a combination of experimental and DFT/TDDFT theoretical investigations of the ground and excited states of 1,4,8,11,15,18,22,25- Octabutoxyphthalocyaninato-nickel(II), NiPc(BuO)

Original language	English
Pages (from-to)	2078-89
Journal	Journal of Physical Chemistry A
Volume	109
Issue number	10
DOIs	https://doi.org/10.1021/jp0457444
Publication status	Published - 2005

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CCDC 237068: Experimental Crystal Structure Determination
Gunaratne, T. C. (Contributor), Gusev, A. V. (Contributor), Peng, X. (Contributor), Rosa, A. (Contributor), Ricciardi, G. (Contributor), Baerends, E. J. (Contributor), Rizzoli, C. (Contributor), Kenney, M. E. (Contributor) & Rodgers, M. A. J. (Contributor), Unknown Publisher, 1 Jan 2005
DOI: 10.5517/cc7ypc6, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc7ypc6&sid=DataCite
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title = "Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies",

abstract = "Reported herein is a combination of experimental and DFT/TDDFT theoretical investigations of the ground and excited states of 1,4,8,11,15,18,22,25- Octabutoxyphthalocyaninato-nickel(II), NiPc(BuO)",

author = "T.C. Gunaratne and A.V. Gusev and X. Peng and A. Rosa and G. Ricciardi and E.J. Baerends and C. Rizzoli and M.E. Kenney and M.A. Rodgers",

year = "2005",

doi = "10.1021/jp0457444",

language = "English",

volume = "109",

pages = "2078--89",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

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T1 - Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies

AU - Gunaratne, T.C.

AU - Gusev, A.V.

AU - Peng, X.

AU - Rosa, A.

AU - Ricciardi, G.

AU - Baerends, E.J.

AU - Rizzoli, C.

AU - Kenney, M.E.

AU - Rodgers, M.A.

PY - 2005

Y1 - 2005

N2 - Reported herein is a combination of experimental and DFT/TDDFT theoretical investigations of the ground and excited states of 1,4,8,11,15,18,22,25- Octabutoxyphthalocyaninato-nickel(II), NiPc(BuO)

AB - Reported herein is a combination of experimental and DFT/TDDFT theoretical investigations of the ground and excited states of 1,4,8,11,15,18,22,25- Octabutoxyphthalocyaninato-nickel(II), NiPc(BuO)

U2 - 10.1021/jp0457444

DO - 10.1021/jp0457444

M3 - Article

SN - 1089-5639

VL - 109

SP - 2078

EP - 2089

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 10

ER -

Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies

Abstract

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CCDC 237068: Experimental Crystal Structure Determination

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