Marcella Iannuzzi

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The pentane σ-complex [Rh{Cy2 P(CH2 CH2 )PCy2 }(η(2) :η(2) -C5 H12 )][BAr(F) 4 ] is synthesized by a solid/gas single-crystal to single-crystal transformation by addition of H2 to a precursor 1,3-pentadiene complex. Characterization by low temperature single-crystal X-ray diffraction (150 K) and SSNMR spectroscopy (158 K) reveals coordination through two(More)
Solar-light driven water splitting is a promising way for the sustainable production of molecular hydrogen, the latter representing an efficient carrier for energy storage and conversion into common liquid fuels. In search of novel catalysts for high-performance water splitting devices, Co-pyrphyrin (CoPy) has been recently synthesized and successfully used(More)
To probe the influence of hydrogen bonding on the electronic structure of ammonia, gas phase and aqueous NH3 have been investigated using soft X-ray absorption (XAS), resonant inelastic soft X-ray scattering (RIXS), and electronic structure calculations including dynamical effects. Strong spectral differences in the XAS scans as well as in the RIXS spectra(More)
The electrophilic N-trifluoromethylation of MeCN with a hypervalent iodine reagent to form a nitrilium ion, that is rapidly trapped by an azole nucleophile, is thought to occur via reductive elimination (RE). A recent study showed that, depending on the solvent representation, the S(N)2 is favoured to a different extent over the RE. However, there is a(More)
The enzyme human aromatase (HA) catalyzes the conversion of androgens to estrogens via two hydroxylation reactions and a final unique aromatization step. Despite the great interest of HA as a drug target against breast cancer detailed structural and spectroscopic information on this enzyme became available only in the past few years. As such, the enigmatic(More)
Experiment and computer simulations were conducted in order to study the adsorption of the phthalocyanine molecules H2Pc and CuPc on the h-BN/Rh(111) nanomesh. We combine STM investigations with the exploration of the potential energy surface as resulting from density functional theory calculations. Both approaches indicate a pronounced adsorption(More)
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