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An X-ray absorption and photoemission study of the electronic structure of Ni porphyrins and Ni N-confused porphyrin

Krasnikov, S. A.; Sergeeva, N. N.; Brzhezinskaya, M. M.; Preobrajenski, Alexei LU ; Sergeeva, Y. N.; Vinogradov, N. A.; Cafolla, A. A.; Senge, M. O. and Vinogradov, A. S. (2008) In Journal of Physics: Condensed Matter 20(23). p.1-235207
Abstract
Investigations of chemical bonding and electronic structure features for polycrystalline (porphyrinato)nickel (II) (NiP, the simplest Ni porphyrin), (5,10,15,20-tetraphenylporphyrinato)nickel (II) (NiTPP) and

(2-aza-21-carba-5,10,15,20-tetraphenylporphyrinato)nickel (II) (N-confused NiTPP, NiNCTPP) have been performed by means of high-resolution soft x-ray absorption and x-ray

photoemission spectroscopy. The Ni 2p3/2 x-ray absorption spectra show strong pi-back-bonding in these compounds leading to a high-energy shift (1.2 eV for the NiP and

NiTPP) of the entire absorption structure compared to Ni metal. It has been found that the main absorption line of the Ni 2p3/2 spectrum of the NiNCTPP is shifted by an... (More)
Investigations of chemical bonding and electronic structure features for polycrystalline (porphyrinato)nickel (II) (NiP, the simplest Ni porphyrin), (5,10,15,20-tetraphenylporphyrinato)nickel (II) (NiTPP) and

(2-aza-21-carba-5,10,15,20-tetraphenylporphyrinato)nickel (II) (N-confused NiTPP, NiNCTPP) have been performed by means of high-resolution soft x-ray absorption and x-ray

photoemission spectroscopy. The Ni 2p3/2 x-ray absorption spectra show strong pi-back-bonding in these compounds leading to a high-energy shift (1.2 eV for the NiP and

NiTPP) of the entire absorption structure compared to Ni metal. It has been found that the main absorption line of the Ni 2p3/2 spectrum of the NiNCTPP is shifted by an additional 0.5 eV to higher energies in comparison with those for other nickel porphyrins. This shift is evidence of stronger back-donation (metal-to-ligand charge transfer) and a smaller effective number of 3d electrons on the central Ni atom in the NiNCTPP as compared to other Ni porphyrins. The confused N atom in the NiNCTPP is of pyrrolic type (protonated nitrogen), which was confirmed by the N 1s absorption and core-level photoemission spectra. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physics: Condensed Matter
volume
20
issue
23
pages
1 - 235207
publisher
IOP Publishing
external identifiers
  • wos:000256172800009
  • scopus:44649084426
ISSN
1361-648X
DOI
10.1088/0953-8984/20/23/235207
language
English
LU publication?
yes
id
99da6b98-7001-47f8-a7f5-6ec80c133bfd (old id 1150124)
date added to LUP
2008-05-15 10:50:59
date last changed
2017-08-27 04:27:29
@article{99da6b98-7001-47f8-a7f5-6ec80c133bfd,
  abstract     = {Investigations of chemical bonding and electronic structure features for polycrystalline (porphyrinato)nickel (II) (NiP, the simplest Ni porphyrin), (5,10,15,20-tetraphenylporphyrinato)nickel (II) (NiTPP) and<br/><br>
(2-aza-21-carba-5,10,15,20-tetraphenylporphyrinato)nickel (II) (N-confused NiTPP, NiNCTPP) have been performed by means of high-resolution soft x-ray absorption and x-ray<br/><br>
photoemission spectroscopy. The Ni 2p3/2 x-ray absorption spectra show strong pi-back-bonding in these compounds leading to a high-energy shift (1.2 eV for the NiP and<br/><br>
NiTPP) of the entire absorption structure compared to Ni metal. It has been found that the main absorption line of the Ni 2p3/2 spectrum of the NiNCTPP is shifted by an additional 0.5 eV to higher energies in comparison with those for other nickel porphyrins. This shift is evidence of stronger back-donation (metal-to-ligand charge transfer) and a smaller effective number of 3d electrons on the central Ni atom in the NiNCTPP as compared to other Ni porphyrins. The confused N atom in the NiNCTPP is of pyrrolic type (protonated nitrogen), which was confirmed by the N 1s absorption and core-level photoemission spectra.},
  author       = {Krasnikov, S. A. and Sergeeva, N. N. and Brzhezinskaya, M. M. and Preobrajenski, Alexei and Sergeeva, Y. N. and Vinogradov, N. A. and Cafolla, A. A. and Senge, M. O. and Vinogradov, A. S.},
  issn         = {1361-648X},
  language     = {eng},
  number       = {23},
  pages        = {1--235207},
  publisher    = {IOP Publishing},
  series       = {Journal of Physics: Condensed Matter},
  title        = {An X-ray absorption and photoemission study of the electronic structure of Ni porphyrins and Ni N-confused porphyrin},
  url          = {http://dx.doi.org/10.1088/0953-8984/20/23/235207},
  volume       = {20},
  year         = {2008},
}