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On the nature of the electronics structure of metal-metal quadruply bonded complexes

D'Acchioli, Jason S
http://rave.ohiolink.edu/etdc/view?acc_num=osu1126621699

Abstract Details

2005, Doctor of Philosophy, Ohio State University, Chemistry.
Metal-metal (M 2 ) quadruply bonded complexes have a rich, diverse chemistry. From providing insight into fundamental chemistry, to having applications in materials chemistry, they continue to fuel the imagination of many inorganic chemists. Perhaps the most interesting aspect of complexes containing M 2 (M = Mo, W) quadruple bonds are their physical and electronic structures. This thesis demonstrates an “aufbau” for understanding metal-metal quadruply bonded complexes. We begin by examining the spectral and electronic properties of simple paddlewheel complexes of the form M 2 (O 2 CR) 4 (M = Mo, W; R = t Bu—experimental; CH 3 , H—computational models). From there, we move to understanding the subtle electronic and thermodynamic features of more complex systems, i.e. [(HCO 2 ) 3 M 2 ] 2 (µ-O 2 CCO 2 ). We then move from understanding complexes of the form [(HCO 2 ) 2 M 2 ] 4 (µ-O 2 CCO 2 ) 4 to [M 2 (µ-O 2 CCO 2 )] ∞ , the “infinite limit” of an extended structure. Finally, we investigate the unique chemistry of systems linked by 4,4’-azodibenzoic acid, applying what we know from similar studies of related systems. Throughout this work, computational techniques utilizing density functional theory is emphasized, as it has proven quite successful in predicting and reproducing experimental results.
Malcolm Chisholm (Advisor)
298 p.
Metal-metal multiple bonds; metal-metal quadruple bonds; density functional theory; electron paramagnetic resonance; inter-valence charge transfer complexes; electrochemistry using fluoryl aryl borates

Recommended Citations

Citations

  • D'Acchioli, J. S. (2005). On the nature of the electronics structure of metal-metal quadruply bonded complexes [Doctoral dissertation, Ohio State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=osu1126621699

    APA Style (7th edition)

  • D'Acchioli, Jason. On the nature of the electronics structure of metal-metal quadruply bonded complexes. 2005. Ohio State University, Doctoral dissertation. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=osu1126621699.

    MLA Style (8th edition)

  • D'Acchioli, Jason. "On the nature of the electronics structure of metal-metal quadruply bonded complexes." Doctoral dissertation, Ohio State University, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=osu1126621699

    Chicago Manual of Style (17th edition)

osu1126621699
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© 2005, all rights reserved.
This open access ETD is published by The Ohio State University and OhioLINK.