2015
DOI: 10.1016/j.comptc.2014.11.008
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Tuning electronic structures of uranyl fluorides via increasing equatorial pyridyl number and extending pyridyl conjugation

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“…In fact, this behavior has also been seen with Co­(II) in its complex with the functionalized qtpy 30 , wherein there is some parallel with the binding of EDTA to lighter first-row transition-metal ions. Heavier metal ions have not been a subject of detailed interest; nonetheless, the electronic structures of the monometallic uranyl complexes [(UO 2 )­( 17 )­F] + and [(UO 2 )­( 17 )] 2+ were recently calculated in silico and compared with those of other pyridine analogues . This interest might well increase as a result of the ongoing boom in domains such as catalysis and renewable energy sources (cf.…”
Section: Architecture Of Qtpy Coordination Complexesmentioning
confidence: 99%
“…In fact, this behavior has also been seen with Co­(II) in its complex with the functionalized qtpy 30 , wherein there is some parallel with the binding of EDTA to lighter first-row transition-metal ions. Heavier metal ions have not been a subject of detailed interest; nonetheless, the electronic structures of the monometallic uranyl complexes [(UO 2 )­( 17 )­F] + and [(UO 2 )­( 17 )] 2+ were recently calculated in silico and compared with those of other pyridine analogues . This interest might well increase as a result of the ongoing boom in domains such as catalysis and renewable energy sources (cf.…”
Section: Architecture Of Qtpy Coordination Complexesmentioning
confidence: 99%