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| Title: | METAL-BENZENE COMPLEXES WITH INSERTED METAL ATOMS AND THE POSSIBILITY OF GENERATING MAGNETIC NI-BENZENE CLUSTERS | |
| DOI No: | 10.1142/9789812701879_0039 | |
| Source: | CLUSTERS AND NANO-ASSEMBLIES (pp 341-348) | |
| Author(s): | ANIL K. KANDALAM
Physics Department, Virginia Commonwealth University, Richmond, VA 23284-2000, USA N. O. JONES Physics Department, Virginia Commonwealth University, Richmond, VA 23284-2000, USA S. N. KHANNA Physics Department, Virginia Commonwealth University, Richmond, VA 23284-2000, USA P. JENA Physics Department, Virginia Commonwealth University, Richmond, VA 23284-2000, USA |
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| Abstract: | It is shown that a new class of structures where a metal atom is inserted in the benzene ring is more stable than the previous ground state reported for a single Ni-benzene anion. Our studies based on first principles density functional formalism indicate that the formation of such inserted structures may require overcoming a barrier. The new structure is characterized by high transition energies to the neutral clusters and some of the peaks in the existing negative ion photo-detachment spectra on Nin(Bz)m anions could be due to the existence of these species. | |
| Full Text: | View full text in PDF format (360KB) | |
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