Investigation of the electronic structure of mono(1,1′- diamidoferrocene) uranium(IV) complexes

Selma Duhović; Jeremy V. Oria; Samuel O. Odoh; Georg Schreckenbach; Enrique R. Batista; Paula L. Diaconescu

doi:10.1021/om400521k

Investigation of the electronic structure of mono(1,1′- diamidoferrocene) uranium(IV) complexes

Selma Duhović, Jeremy V. Oria, Samuel O. Odoh, Georg Schreckenbach, Enrique R. Batista, Paula L. Diaconescu

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

29 Scopus citations

Abstract

The electronic structure of several mono(1,1′-diamidoferrocene) uranium complexes (NN^R)UX₂ (NN^R = fc(NR) ₂, fc = 1,1′-ferrocenediyl, R = SiMe₃, Si ^tBuMe₂, SiMe₂Ph, X = I, CH₂Ph), (NN^TBS)UI(OAr) (OAr = 2,6-di-tert-butylphenoxide), and (NN ^TBS)U(CH₂Ph)(OAr) was investigated by electrochemistry, electronic absorption and vibrational spectroscopy, and DFT calculations. Similar metrical parameters were observed for (NN^TBS)U(CH ₂Ph)₂ and (NN^DMP)U(CH₂Ph) ₂ (and also for the previously reported (NN^TMS)UI ₂(THF), (NN^TBS)UI₂(THF), and (NN ^TBS)U(CH₂Ph)(OAr)) that translate in similar DFT parameters (bond orders, metal charges) despite some small differences observed by electrochemistry and IR or electronic absorption spectroscopy.

Original language	English (US)
Pages (from-to)	6012-6021
Number of pages	10
Journal	Organometallics
Volume	32
Issue number	20
DOIs	https://doi.org/10.1021/om400521k
State	Published - Oct 28 2013

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title = "Investigation of the electronic structure of mono(1,1′- diamidoferrocene) uranium(IV) complexes",

abstract = "The electronic structure of several mono(1,1′-diamidoferrocene) uranium complexes (NNR)UX2 (NNR = fc(NR) 2, fc = 1,1′-ferrocenediyl, R = SiMe3, Si tBuMe2, SiMe2Ph, X = I, CH2Ph), (NNTBS)UI(OAr) (OAr = 2,6-di-tert-butylphenoxide), and (NN TBS)U(CH2Ph)(OAr) was investigated by electrochemistry, electronic absorption and vibrational spectroscopy, and DFT calculations. Similar metrical parameters were observed for (NNTBS)U(CH 2Ph)2 and (NNDMP)U(CH2Ph) 2 (and also for the previously reported (NNTMS)UI 2(THF), (NNTBS)UI2(THF), and (NN TBS)U(CH2Ph)(OAr)) that translate in similar DFT parameters (bond orders, metal charges) despite some small differences observed by electrochemistry and IR or electronic absorption spectroscopy.",

author = "Selma Duhovi{\'c} and Oria, {Jeremy V.} and Odoh, {Samuel O.} and Georg Schreckenbach and Batista, {Enrique R.} and Diaconescu, {Paula L.}",

year = "2013",

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doi = "10.1021/om400521k",

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T1 - Investigation of the electronic structure of mono(1,1′- diamidoferrocene) uranium(IV) complexes

AU - Duhović, Selma

AU - Oria, Jeremy V.

AU - Odoh, Samuel O.

AU - Schreckenbach, Georg

AU - Batista, Enrique R.

AU - Diaconescu, Paula L.

PY - 2013/10/28

Y1 - 2013/10/28

N2 - The electronic structure of several mono(1,1′-diamidoferrocene) uranium complexes (NNR)UX2 (NNR = fc(NR) 2, fc = 1,1′-ferrocenediyl, R = SiMe3, Si tBuMe2, SiMe2Ph, X = I, CH2Ph), (NNTBS)UI(OAr) (OAr = 2,6-di-tert-butylphenoxide), and (NN TBS)U(CH2Ph)(OAr) was investigated by electrochemistry, electronic absorption and vibrational spectroscopy, and DFT calculations. Similar metrical parameters were observed for (NNTBS)U(CH 2Ph)2 and (NNDMP)U(CH2Ph) 2 (and also for the previously reported (NNTMS)UI 2(THF), (NNTBS)UI2(THF), and (NN TBS)U(CH2Ph)(OAr)) that translate in similar DFT parameters (bond orders, metal charges) despite some small differences observed by electrochemistry and IR or electronic absorption spectroscopy.

AB - The electronic structure of several mono(1,1′-diamidoferrocene) uranium complexes (NNR)UX2 (NNR = fc(NR) 2, fc = 1,1′-ferrocenediyl, R = SiMe3, Si tBuMe2, SiMe2Ph, X = I, CH2Ph), (NNTBS)UI(OAr) (OAr = 2,6-di-tert-butylphenoxide), and (NN TBS)U(CH2Ph)(OAr) was investigated by electrochemistry, electronic absorption and vibrational spectroscopy, and DFT calculations. Similar metrical parameters were observed for (NNTBS)U(CH 2Ph)2 and (NNDMP)U(CH2Ph) 2 (and also for the previously reported (NNTMS)UI 2(THF), (NNTBS)UI2(THF), and (NN TBS)U(CH2Ph)(OAr)) that translate in similar DFT parameters (bond orders, metal charges) despite some small differences observed by electrochemistry and IR or electronic absorption spectroscopy.

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Investigation of the electronic structure of mono(1,1′- diamidoferrocene) uranium(IV) complexes

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