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Start Over Author "Fitzgerald, Emma" Search Limiters Peer Reviewed Journal organometallics
9 results on '"Fitzgerald, Emma"'

2. Orbital Symmetry Control of Electronic Coupling in a Symmetrical, All-Carbon-Bridged “Mixed Valence” Compound: Synthesis, Spectroscopy, and Electronic Structure of [{Mo(dppe)(η-C7H7)}2(μ-C4)]n+ (n = 0, 1, or 2)

Author

Fitzgerald, Emma C., primary, Brown, Neil J., additional, Edge, Ruth, additional, Helliwell, Madeleine, additional, Roberts, Hannah N., additional, Tuna, Floriana, additional, Beeby, Andrew, additional, Collison, David, additional, Low, Paul J., additional, and Whiteley, Mark W., additional

Published
2011
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3. Spectroscopic Evidence for Redox Isomerism in the 1,4-Diethynylbenzene-Bridged Heterobimetallic Cation [{Fe(dppe)Cp*}(μ-C≡CC6H4C≡C){Mo(dppe)(η-C7H7)}]PF6

Author

Fitzgerald, Emma C., primary, Ladjarafi, Abdelkader, additional, Brown, Neil J., additional, Collison, David, additional, Costuas, Karine, additional, Edge, Ruth, additional, Halet, Jean-François, additional, Justaud, Frédéric, additional, Low, Paul J., additional, Meghezzi, Hacène, additional, Roisnel, Thierry, additional, Whiteley, Mark W., additional, and Lapinte, Claude, additional

Published
2011
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4. Spectroscopic Properties and Electronic Structure of the Cycloheptatrienyl Molybdenum Alkynyl Complexes [Mo(C≡CR)(Ph2PCH2CH2PPh2)(η-C7H7)]n+(n= 0 or 1; R =But, Fc, CO2Me, or C6H4-4-X, X = NH2, OMe, Me, H, CHO, CO2Me)

Author

Brown, Neil J., primary, Collison, David, additional, Edge, Ruth, additional, Fitzgerald, Emma C., additional, Helliwell, Madeleine, additional, Howard, Judith A. K., additional, Lancashire, Hannah N., additional, Low, Paul J., additional, McDouall, Joseph J. W., additional, Raftery, James, additional, Smith, Charlene A., additional, Yufit, Dmitry S., additional, and Whiteley, Mark W., additional

Published
2010
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9. Spectroscopic Properties and Electronic Structure of the Cycloheptatrienyl Molybdenum Alkynyl Complexes [Mo(CCR)(Ph2PCH2CH2PPh2)(η-C7H7)]n+ (n = 0 or 1; R = But, Fc, CO2Me, or C6H4-4-X, X = NH2, OMe, Me, H, CHO, CO2Me)

Author

Brown, Neil J., Collison, David, Edge, Ruth, Fitzgerald, Emma C., Helliwell, Madeleine, Howard, Judith A. K., Lancashire, Hannah N., Low, Paul J., McDouall, Joseph J. W., Raftery, James, Smith, Charlene A., Yufit, Dmitry S., and Whiteley, Mark W.

Abstract

A series of molybdenum alkynyl complexes [Mo(CCR)(dppe)(η-C7H7)] featuring a range of alkynyl substituents R with varying electron-donating and -withdrawing properties have been prepared. Oxidation of representative members of the series to the corresponding 17-electron radical cations has been achieved through both chemical oxidation and in situ spectroelectrochemical methods. The largely metal-centered character of the HOMO in this class of compounds has been established through a combination of experimental measurements (IR, UV−vis−NIR, EPR spectroscopies) and DFT-based calculations and rationalized in terms of the stabilization of the metal dxy, dyz, dxz, and dx2-y2 through π- and δ-interactions with the C7H7 ring and concomitant destablization of the dz2 orbital. A series of molybdenum alkynyl complexes [Mo(CCR)(dppe)(η-C7H7)] featuring a range of alkynyl substituents R with varying electron-donating and -withdrawing properties have been prepared. Oxidation of representative members of the series to the corresponding 17-electron radical cations has been achieved through both chemical oxidation and in situ spectroelectrochemical methods. The largely metal-centered character of the HOMO in this class of compounds has been established through a combination of experimental measurements (IR, UV−vis−NIR, EPR spectroscopies) and DFT-based calculations and rationalized in terms of the stabilization of the metal dxy, dyz, dxz, and dx2-y2 through π- and δ-interactions with the C7H7 ring and concomitant destablization of the dz2 orbital. [ABSTRACT FROM AUTHOR]

Published
2010
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