Identification of the electronic states of manganese phthalocyanine close to the Fermi level. Grobosch, M., Mahns, B., Loose, C., Friedrich, R., Schmidt, C., Kortus, J., & Knupfer, M. Chemical Physics Letters, 505(4-6):122–125, March, 2011.
Identification of the electronic states of manganese phthalocyanine close to the Fermi level [link]Paper  doi  abstract   bibtex   
\textlessp\textgreater\textlessbr/\textgreaterThe electronic properties of two metal phthalocyanines, CuPc and MnPc, have been investigated by a combined experimental and theoretical approach. We demonstrate that the highest occupied molecular orbital of MnPc has significant metal 3d character, which is in contrast to CuPc where this state is of pure ligand [pi] nature. This difference also explains the substantial variation in the ionization potential on going from CuPc to MnPc. Moreover, our results allow to identify the 1eg symmetry of the Mn 3d state near the Fermi level, and they provide insight into the magnetic anisotropy of the two phthalocyanines.\textless/p\textgreater
@article{grobosch_identification_2011,
	title = {Identification of the electronic states of manganese phthalocyanine close to the {Fermi} level},
	volume = {505},
	issn = {0009-2614},
	url = {http://www.sciencedirect.com/science/article/pii/S0009261411001989},
	doi = {16/j.cplett.2011.02.039},
	abstract = {{\textless}p{\textgreater}{\textless}br/{\textgreater}The electronic properties of two metal phthalocyanines, CuPc and MnPc, have been investigated by a combined experimental and theoretical approach. We demonstrate that the highest occupied molecular orbital of MnPc has significant metal 3d character, which is in contrast to CuPc where this state is of pure ligand [pi] nature. This difference also explains the substantial variation in the ionization potential on going from CuPc to MnPc. Moreover, our results allow to identify the 1eg symmetry of the Mn 3d state near the Fermi level, and they provide insight into the magnetic anisotropy of the two phthalocyanines.{\textless}/p{\textgreater}},
	number = {4-6},
	urldate = {2011-07-11},
	journal = {Chemical Physics Letters},
	author = {Grobosch, M. and Mahns, B. and Loose, C. and Friedrich, R. and Schmidt, C. and Kortus, J. and Knupfer, M.},
	month = mar,
	year = {2011},
	pages = {122--125},
}

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