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Deliverables

Deliverables

2018

E. Goretti, M. Pallottini, B.T. Cenci Goga, R. Selvaggi, C. Petroselli, F. Vercillo, D. Cappelletti
Mustelids as bioindicators of the environmental contamination by heavy metals
Ecological Indicators, 9, 320-327 (2018)
https://doi.org/10.1016/j.ecolind.2018.07.004

E. Federici, C. Petroselli, E. Montalbani, C. Casagrande, E. Ceci, B. Moroni, G. La Porta, S. Castellini, R. Selvaggi, B. Sebastiani, S. Crocchianti, I. Gandolfi, A. Franzetti, D. Cappelletti
Airborne bacteria and persistent organic pollutants associated with an intense Saharan dust event in the Central Mediterranean
Science of the Total Environment, 645, 401-410 (2018)
https://doi.org/10.1016/j.scitotenv.2018.07.128

D. Sorbelli, L. Belpassi, F. Tarantelli, P. Belanzoni
Ligand Effect on Bonding in Gold(III) Carbonyl Complexes
Inorg. Chem. 2018, 57, 6161
https://doi.org/10.1021/acs.inorgchem.8b00765

M. De Santis, F. Nunzi, D. Cesario, L. Belpassi, F. Tarantelli, D. Cappelletti, F. Pirani
Cooperative Role Of Halogen And Hydrogen Bonding In The Stabilization Of Water Adducts With Apolar Molecules
New J. Chem., 2018. 42(13), 10603-10614
https://doi.org/10.1039/c8nj00552d

F. Nunzi, D. Cesario, F. Pirani, L. Belpassi, F. Tarantelli
Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium
ChemPhysChem 2018, 19(12), 1476-1485
https://doi.org/10.1002/cphc.201800051

X. Wan, L. Wang, C.L. Dong, G. Menendez Rodriguez, Y.C. Huang, A. Macchioni, S. Shen
Activating Kläui-Type Organometallic Precursors at Metal Oxide Surfaces for Enhanced Solar Water Oxidation
ACS Energy Lett. 3 (2018) 1613–1619
https://doi.org/10.1021/acsenergylett.8b00847

A. Annunziata, R. Esposito, G. Gatto, M.E. Cucciolito, A. Tuzi, A. Macchioni, F. Ruffo
Iron(III) Complexes with Cross-Bridged Cyclams: Synthesis and Use in Alcohol and Water Oxidation Catalysis
Eur. J. Inorg. Chem. 2018 (2018) 3304–3311
https://doi.org/10.1002/ejic.201800451

A.J.T. Lou, S. Righetto, C. Barger, C. Zuccaccia, E. Cariati, A. Macchioni, T.J. Marks
Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media
J. Am. Chem. Soc. 140 (2018) 8746–8755
https://doi.org/10.1021/jacs.8b04320

F. Zaccaria, C. Zuccaccia, R. Cipullo, P.H.M. Budzelaar, A. Macchioni, V. Busico, C. Ehm
Toluene and α-Olefins as Radical Scavengers: Direct NMR Evidence for Homolytic Chain Transfer Mechanism Leading to Benzyl and “dormant” Titanium Allyl Complexes
Organometallics. 37 (2018) 4189–4194
https://doi.org/10.1021/acs.organomet.8b00755


2019

L. Monico, L. Sorace, M. Cotte, W. de Nolf, K. Janssens, A. Romani, C. Miliani
Disclosing the Binding Medium Effects and the Pigment Solubility in the (Photo) reduction Process of Chrome Yellows (PbCrO4/PbCr1–x S x O4)
ACS Omega, (2019) 4(4), 6607-6619
https://doi.org/10.1021/acsomega.8b03669

C. Petroselli, B. Moroni, S. Crocchianti, R. Selvaggi, R. Vivani, F. Soggia, M. Grotti, F. D’Acapito, D. Cappelletti
Iron Speciation of Natural and Anthropogenic Dust by Spectroscopic and Chemical Methods
Atmosphere, 2019, 10, 8
https://doi.org/10.3390/atmos10010008

B. Moroni, S. Crocchianti, C. Petroselli, R. Selvaggi, S. Becagli, R. Traversi, D. Cappelletti
Potential source contribution function analysis of long-range transported aerosols in the Central Mediterranean: a comparative study of two background sites in Italy
Rendiconti Lincei. Scienze Fisiche e Naturali (2019) 30:337–349
https://doi.org/10.1007/s12210-019-00792-x

G. Massaro, G. Zampini, D. Ruiz-Molina, J. Hernando, C. Roscini, L. Latterini
Thermal Control of Intermolecular Interactions and Tuning of Fluorescent State Energies
J. Phys. Chem. C, 2019, 123, 8, 4632-4637

L. Tarpani, F. Bellezza, P. Sassi, M. Gambucci, A. Cipiciani, L. Latterini
New Insights on the Effects of Surface Functionalization on the Peroxidase Activity of Cytochrome c Adsorbed on Silica Nanoparticles
J. Phys. Chem. B, 2019, 123, 11, 2567-2575

F. Pirani, D. Cappelletti, S. Falcinelli, D. Cesario, F. Nunzi, L. Belpassi, F. Tarantelli
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble‐Gas–Chlorine Systems
Angew. Chem. Int. Ed.. 58, 4195-4199 (2019)
https://doi.org/10.1002/anie.201812889

F. Nunzi, D. Cesario, L. Belpassi, F. Tarantelli, L.F. Roncaratti, S. Falcinelli, D. Cappelletti, F. Pirani
Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis
Phys.Chem.Chem.Phys. 21, 7330-7340 (2019)
https://doi.org/10.1039/c9cp00300b

D. Cappelletti, A. Cinti, A. Nicoziani, S. Falcinelli, F. Pirani
Molecular Beam Scattering Experiments as a Sensitive Probe of the Interaction in Bromine–Noble Gas Complexes
Frontiers Chemistry 7, 320 (2019)
https://doi.org/10.3389/fchem.2019.00320

S. G. Motti, D. Meggiolaro, A. J. Barker, E. Mosconi, C. A. R. Perini, J. M. Ball, M. Gandini, M. Kim, F. De Angelis, A. Petrozza
Controlling competing photochemical reactions stabilizes perovskite solar cells
Nature Photonics, 2019, (in press)
https://doi.org/10.1038/s41566-019-0435-1

S. Fantacci, F. De Angelis
Ab initio modeling of solar cell dye sensitizers: The hunt for red photons continues
Eur. J. Inorg. Chem., 2019, 6, 743
https://doi.org/10.1002/ejic.201801258

D. Meggiolaro, E. Mosconi, F. De Angelis
Formation of Surface Defects Dominates Ion Migration in Lead-Halide Perovskites
ACS Energy Letters, 2019, 4, 779
https://doi.org/10.1021/acsenergylett.9b00247

S. Borocci, F. Grandinetti, N. Sanna, P. Antoniotti, F. Nunzi
Complexes of the Noble-Gas Atoms with Hydrogen Halides: Theoretical Insights into Weakest Hydrogen and Halogen Bonds
J. Comput. Chem. 2019

E. Radicchi, E. Mosconi, F. Elisei, F. Nunzi, F. De Angelis
Understanding the Solution Chemistry of Lead Halide Perovskites Precursors
ACS Appl. Energy Mater. 2019, 2, 5, 3400-3409
https://doi.org/10.1021/acsaem.9b00206

D. Cesario, M. Fortino, T. Marino, F. Nunzi, N. Russo, E. Sicilia
The Role Of The Halogen Bond In Iodothyronine Deiodinase: Dependence On Chalcogen Substitution In Naphthyl‐Based Mimetics
J. Comput. Chem., 2019. 40(8), 944-951
https://doi.org/10.1002/jcc.25775

D. Sorbelli, L. Nunes dos Santos Comprido, G. Knizia, A. S. K. Hashmi, L. Belpassi, P. Belanzoni, J. E. Klein
Cationic Gold (I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects
ChemPhysChem, 2019
https://doi.org/10.1002/cphc.201900411

D. Ricciarelli, Q. M. Phung, L. Belpassi, J.N. Harvey, P. Belanzoni
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled
Inorg. Chem., 2019 58, 11, 7345-7356
https://doi.org/10.1021/acs.inorgchem.9b00476

L. Gregori, D. Sorbelli, L. Belpassi, F. Tarantelli, P. Belanzoni
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis
Inorg. Chem. 2019, 58, 5, 3115-3129
https://doi.org/10.1021/acs.inorgchem.8b03172

A. Singh, E. Radicchi, S. Fantacci, F. De Angelis, A. Gagliardi
Interface Electrostatics of Solid-State Dye-Sensitized Solar Cells: A Joint Drift-Diffusion and Density Functional Theory Study
J. Phys. Chem. C., 2019
https://doi.org/10.1021/acs.jpcc.9b03658

A. Bernasconi, A. Rizzo, A. Listorti, A. Mahata, E. Mosconi, F. De Angelis, L. Malavasi
Synthesis, Properties and Modelling of Cs1-xRbxSnBr3 Solid Solution: a New Mixed-cation Lead-free All-Inorganic Perovskite System
Chem. Mater. 2019, 31, 9, 3527-3533
https://doi.org/acs.chemmater.9b00837

E. Cinquanta, D. Meggiolaro, S. G. Motti, M. Gandini, M.J. Alcocer, Q.A. Akkerman, C. Vozzi, L. Manna, F. De Angelis, A. Petrozza, S. Stagira
S. Ultrafast THz Probe of Photoinduced Polarons in Lead-Halide Perovskites
Phys. Rev. Lett., 2019, 122(16), 166601
https://doi.org/10.1103/PhysRevLett.122.166601

Z. Ni, L. Goracci, G. Cruciani, M. Fedorova
Computational solutions in redox lipidomics – Current strategies and future perspectives
Free Radic Biol Med, (2019) [Epub ahead of print]
https://doi.org/10.1016/j.freeradbiomed.2019.04.027

A. Macchioni
The Middle-Earth between Homogeneous and Heterogeneous Catalysis in Water Oxidation with Iridium
Eur. J. Inorg. Chem. 2019 (2019) 7–17
https://doi.org/10.1002/ejic.201800798

A. Macchioni
Raffaello Nasini: An Eclectic Chemist Heralding the Interdisciplinary Essence of Inorganic Chemistry
Eur. J. Inorg. Chem. 2019 (2019) 546–549
https://doi.org/10.1002/ejic.201801390

F. Zaccaria, C. Zuccaccia, R. Cipullo, P.H.M. Budzelaar, A. Macchioni, V. Busico, C. Ehm
BHT-Modified MAO: Cage Size Estimation, Chemical Counting of Strongly Acidic Al Sites, and Activation of a Ti-Phosphinimide Precatalyst
ACS Catal. 9 (2019) 2996–3010
https://doi.org/10.1021/acscatal.9b00076

F. Zaccaria, C. Zuccaccia, R. Cipullo, A. Macchioni
Extraction of Reliable Molecular Information from Diffusion NMR Spectroscopy: Hydrodynamic Volume or Molecular Mass?
Chem. – A Eur. J. 25 (2019) 9930–9937
https://doi.org/10.1002/chem.201900812

I. Corbucci, F. Zaccaria, R. Heath, G. Gatto, C. Zuccaccia, M. Albrecht, A. Macchioni
Iridium Water Oxidation Catalysts Based on Pyridine-Carbene Alkyl-Substituted Ligands
ChemCatChem. 11 (2019) 5353–5361
https://doi.org/10.1002/cctc.201901092

M.M. Ghimire, O.C. Simon, L.M. Harris, A. Appiah, R.M. Mitch, V.N. Nesterov, A. Macchioni, C. Zuccaccia, H. Rabaâ, R. Galassi, M.A. Omary
Binary Donor-Acceptor Adducts of Tetrathiafulvalene Donors with Cyclic Trimetallic Monovalent Coinage Metal Acceptors
Inorg. Chem. 58 (2019), 15303-15319
https://doi.org/10.1021/acs.inorgchem.9b02294

F. Zaccaria, C. Zuccaccia, R. Cipullo, P.H.M. Budzelaar, A. Macchioni, V. Busico, C. Ehm
On the Nature of the Lewis Acidic Sites in “TMA-Free” Phenol-Modified Methylaluminoxane
Eur. J. Inorg. Chem. 2019 (2019) 29–31
https://doi.org/10.1002/ejic.201901035

L. Sian, A. Guerriero, M. Peruzzini, C. Zuccaccia, L. Gonsalvi, A. Macchioni
Diffusion NMR Studies on the Self-Aggregation of Ru-Arene CAP Complexes: Evidence for the Formation of H-Bonded Dicationic Species in Acetonitrile
Organometallics. (2019).
https://doi.org/10.1021/acs.organomet.9b00703

M. Campanelli, T. Del Giacco, F. De Angelis, E. Mosconi, M. Taddei, F. Marmottini, R. D’Amato, F. Costantino
Solvent-Free Synthetic Route for Cerium (IV) Metal–Organic Frameworks with UiO-66 Architecture and Their Photocatalytic Applications
ACS applied materials & interfaces (2019) 11, 45031-45037.
https://doi.org/10.1021/acsami.9b13730

G. Gatto, A. Macchioni, R. Bondi, F. Marmottini, F. Costantino
Post Synthetic Defect Engineering of UiO-66 Metal–Organic Framework with An Iridium (III)-HEDTA Complex and Application in Water Oxidation Catalysis
Inorganics (2019), 7 (10), 123.
https://doi.org/10.3390/inorganics7100123

E. Boccalon, M. Nocchetti, M. Pica, A, Romani and M. Casciola
Composite sodium alginate-ion exchangers as clearing systems for the removal of gypsum efflorences
Applied Clay Science 181 (2019) 105216.
https://doi.org/10.1016/j.clay.2019.105216

M. Nocchetti, M. Pica, B. Ridolfi, A. Donnadio, E. Boccalon, G. Zampini, D. Pietrella and M. Casciola
AgCl-ZnAl Layered Double Hydroxides as Catalysts with Enhanced Photodegradation and Antibacterial Activities
Inorganics 7 (2019) 120.
https://doi.org/10.3390/inorganics7100120


2020

L. Sian, A. Macchioni, C. Zuccaccia
Understanding the Role of Metallocenium Ion-Pair Aggregates on the Rate of Olefin Insertion into the Metal–Carbon Bond
ACS Catal.10 (2020) 1591−1606
https://doi.org/10.1021/acscatal.9b04929

F. Zaccaria, C. Zuccaccia, R. Cipullo, P.H.M Budzelaar, A. Macchioni, V. Busico, C. Ehm, Christian
On the Nature of the Lewis Acidic Sites in “TMA‐Free” Phenol‐Modified Methylaluminoxane
Eur. J. Inorg. Chem., (2020) in press
https://doi.org/10.1002/ejic.201901035

L. Tensi, R.D.J. Froese, R. L. Kuhlman, A. Macchioni, C. Zuccaccia
Interception of Elusive Cationic Hf-Al and Hf-Zn Heterobimetallic Adducts with Mixed Alkyl Bridges Featuring Multiple Agostic Interactions
Chem. – A Eur. J. (2020) Accepted Article
https://doi.org/10.1002/chem.201905699

F. Zaccaria, L. Sian, C. Zuccaccia, A. Macchioni
Ion Pairing in Transition Metal Catalyzed Olefin Polymerization.
Adv. Organomet. Chem. (2020) in press
https://doi.org/10.1016/bs.adomc.2019.08.001