Periodic trends in electron transport through extended metal atom chains: comparison of Ru-3(dpa)(4)(NCS)(2) with its first-row analogues
Density functional theory is used to reconcile the structural, magnetic and electron transport properties of a triruthenium extended metal atom chain, Ru 3(dpa) 4(NCS) 2. The distinct bending of the Ru-Ru-Ru core in this species is traced to strong second-order mixing between levels of σ and π symme...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2012
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