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Exploring the reactivity of bacterial multicomponent monooxygenases
(Massachusetts Institute of Technology, 2010)
Chapter 1. Introduction: The Reactivity of Bacterial Multicomponent Monooxygenases Bacterial multicomponent monooxygenases constitute a remarkable family of enzymes that oxidize small, inert hydrocarbon substrates using ...
Design, synthesis, and characterization of conjugated polymers and functional paramagnetic materials for dynamic nuclear polarization
(Massachusetts Institute of Technology, 2010)
The design, synthesis, and characterization of a series of radicals and biradicals for use as dynamic nuclear polarization (DNP) agents is described. DNP is a method to enhance the S/N-ratio in solid-state nuclear magnetic ...
Science and applications of infrared semiconductor nanocrystals
(Massachusetts Institute of Technology, 2010)
In this work we study several applications of semiconductor nanocrystals (NCs) with infrared band gaps. In the first half, we explore the physics of two systems with applications in NC based photovoltaics. The physics of ...
The adsorption of molecular oxygen on Au/Ni(111) alloys and its oxidation of CO at 85 K
(Massachusetts Institute of Technology, 2010)
Molecular oxygen is observed to adsorb on 0.2 - 0.6 ML Au/Ni(111) surface alloys. Molecular oxygen adsorbates are characterized by their 0-0 stretching frequencies of 740 cm', 851 cm' and 962 cm', as measured by high ...
Molybdenum and tungsen alkylidene species for catalytic Enantio-, Z-, and E-selective olefin metathesis reactions
(Massachusetts Institute of Technology, 2011)
CHAPTER1 A general introduction to olefin metathesis is given. Highlights include a detailed discussion of group VI imido alkylidene catalysts. CHAPTER 2 Several bispyrrolide species Mo(NAr)(CHCMe 2Ph)(pyr)2 (Ar = ...
Investigations of sterically demanding ligands in molybdenum and tungsten monopyrrolide monoalkoxide catalysts for olefin metathesis
(Massachusetts Institute of Technology, 2013)
Chapter 2 investigates the mechanism of the temperature-controlled polymerization of 3- methyl-3-phenylcyclopropene (MPCP) by Mo(NAr)(CHCMe 2Ph)(Pyr)(OTPP) (Ar = 2,6- diisopropylphenyl, Pyr = pyrrolide, OTPP = 2,3,5,6-te ...
Boron in the primary and secondary coordination spheres of iron and nickel
(Massachusetts Institute of Technology, 2013)
Motivated by the reported electronic versatility of anionic tris(phosphine)borate and tris- (phosphine)sily1 ligands, a new, neutral tris(phosphine)borane scaffold was prepared. The synthesis, spectroscopy and solid-state ...
Hydrogen bond rearrangements and the motion of charge defects in water viewed using multidimensional ultrafast infrared spectroscopy
(Massachusetts Institute of Technology, 2010)
Compared with other molecular liquids, water is highly structured due to its ability to form up to four hydrogen bonds to its nearest neighbors, resulting in a tetrahedral network of molecules. However, this network is ...
Design and synthesis of organic chromophores for imaging, lithography and organic electronics
(Massachusetts Institute of Technology, 2011)
The absorption and emission maxima, photostabilities and photoreactivities of small-molecule organic chromophores can be tailored by (a) the choice of an appropriate parent structure and (b) the deliberate introduction of ...
Excited states and electron transfer in solution : models based on density functional theory
(Massachusetts Institute of Technology, 2012)
Our understanding of organic materials for solar energy conversion stands to benefit greatly from accurate, computationally tractable electronic structure methods for excited states. Here we apply two approaches based on ...