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2020

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

Nobre, D.C., Cunha, C., Porciello, A., Valentini, F., Marrocchi, A., Vaccaro, L., Galvão, A.M., de Melo, J.S.S.
Photoresponsive N, N′-disubstituted indigo derivatives
(2020) Dyes and Pigments, 176, art. no. 108197
https://doi.org/10.1016/j.dyepig.2020.108197

O. Piermatti, R. Abu-Reziq, L. Vaccaro
Strategies to Immobilized Catalysts: A Key Tool for Modern Chemistry, in Catalyst Immobilization: Methods and Applications
Eds: A. Puglisi, M. Puglisi, 2020. ISBN: 9783527345090
https://doi.org/10.1002/9783527817290.ch1

Ferlin, F., Marini, A., Ascani, N., Ackermann, L., Lanari, D., Vaccaro, L.
Heterogeneous Manganese-Catalyzed Oxidase C−H/C−O Cyclization to Access Pharmaceutically Active Compounds
(2020) ChemCatChem, 12 (2), pp. 449-454
https://doi.org/10.1002/cctc.201901659

Santoro, S., Ferlin, F., Vaccaro, L.
Chapter 6: Sustainable Approaches to C-H Functionalizations Through Flow Techniques
(2020) RSC Green Chemistry, 2020-January (62), pp. 199-216
https://doi.org/10.1039/9781788016094-00199

Ferlin, F., Luque Navarro, P.M., Gu, Y., Lanari, D., Vaccaro, L.
Waste minimized synthesis of pharmaceutically active compounds: Via heterogeneous manganese catalysed C-H oxidation in flow
(2020) Green Chemistry, 22 (2), pp. 397-403
https://doi.org/10.1039/c9gc02961c

B. Moroni, C. Ritter, S. Crocchianti, K. Markowicz, M. Mazzola, S. Becagli, R. Traversi, R. Krejci, P. Tunved, and D. Cappelletti
Individual particle characteristics, optical properties and evolution of an extreme long‐range transported biomass burning event in the European Arctic (Ny‐Ålesund, Svalbard Islands).
Journal of Geophysical Research: Atmospheres, 125, e2019JD031535 (2020)
https://doi.org/10.1029/2019JD031535

Roberta Selvaggi, Bernarda Damianic, Enzo Goretti, Matteo Pallottini, Chiara Petroselli, Beatrice Moroni, Gianandrea La Porta, David Cappelletti
Evaluation of geochemical baselines and metal enrichment factor values through high ecological quality reference points: a novel methodological approach
Environmental Science and Pollution Research, 27, 930–940 (2020)
https://doi.org/10.1007/s11356-019-07036-3

Tositti, L., Moroni, B., Dinelli, E., Morozzi, P., Brattich, E., Sebastiani, B., Petroselli, C., Crocchianti, S., Selvaggi, R., Goretti, E., Cappelletti, D.
Deposition processes over complex topographies: Experimental data meets atmospheric modeling
Science of The Total Environment, 744, 140974 (2020)
https://doi.org/10.1016/j.scitotenv.2020.140974

Petroselli, C., Moroni, B., Crocchianti, S., Selvaggi, R., Soggia, F., Grotti, M., d’Acapito, F., Cappelletti, D.
Iron speciation in different saharan dust advections and effect of the procedural blank on the results from X-ray absorption spectroscopy and selective leaching experiments
Atmosphere 11, 735 (2020)
https://doi.org/10.3390/atmos11070735

Andrea Franzetti, Isabella Gandolfi, Giuseppina Bestetti, Emilio Padoa Schioppa, Claudia Canedoli, Diego Brambilla, David Cappelletti, Bartolomeo Sebastiani, Ermanno Federici, Maddalena Papacchini, Roberto Ambrosini
Plant-microorganisms interaction promotes removal of air pollutants in Milan (Italy) urban area
Journal of Hazardous Materials. 384, 121021 (2020)
https://doi.org/10.1016/j.jhazmat.2019.121021

E. Goretti, M. Pallottini, R. Rossi, G. La Porta, T. Gardi, B.T. Cenci Goga, A.C. Elia, M. Galletti, B. Moroni, C. Petroselli, R. Selvaggi, D. Cappelletti
Heavy metal bioaccumulation in honey bee matrix, an indicator to assess the contamination level in terrestrial environments
Environmental Pollution, 256, 113388 (2020)
https://doi.org/10.1016/j.envpol.2019.113388

E. Radicchi, F. Ambrosio, E. Mosconi, A. A. Alasmari, F. A. S. Alasmary, F. De Angelis
Combined Computational and Experimental Investigation on the Nature of Hydrated Iodoplumbate Complexes: Insights into the Dual Role of Water in Perovskite Precursor Solutions
J. Phys. Chem. B, 124, 11481–11490 (2020)
https://doi.org/10.1021/acs.jpcb.0c08624

L. Romani, A. Speltini, F. Ambrosio, E. Mosconi, A. Profumo, M. Marelli, S. Margadonna, A. Milella, F. Fracassi, A. Listorti, F. De Angelis, L. Malavasi
Water‐Stable DMASnBr3 Lead‐Free Perovskite for Effective Solar‐DrivenPhotocatalysis
Angew. Chem. Int. Ed., 59, 2 – 10 (2020)
https://doi.org/10.1002/anie.202007584

M. Coduri, T. B. Shiell, T. A. Strobel, A. Mahata, F. Cova, E. Mosconi, F. De Angelis, L. Malavasi
Origin of Pressure-Induced Band Gap Tuning in Tin Halide Perovskites
Mater. Adv., 1, 2840-2845 (2020)
https://doi.org/10.1039/D0MA00731E

T. Ahmad, B. Wilk, E. Radicchi, R. F. Pineda, P. Spinelli, J. Herterich, L. A. Castriotta, S. Dasgupta, E. Mosconi, F. De Angelis, M. Kohlstädt, U. Würfel, A. Di Carlo, K. Wojciechowski
New Fullerene Derivative as an n‐Type Material for Highly Efficient, Flexible Perovskite Solar Cells of a p‐i‐n Configuration
Adv. Funct. Mater., 2004357 (2020)
https://doi.org/10.1002/adfm.202004357

I. Mondal, A. Mahata, H. Kim, U. Pal, F. De Angelis, J. Y. Park
A Combined Experimental and Theoretical Approach Revealing Direct Mechanism for Bifunctional Water Splitting on Doped Copper Phosphide
Nanoscale, 12, 17769-17779 (2020)
https://doi.org/10.1039/D0NR03414B

D. Ricciarelli, D. Meggiolaro, F. Ambrosio, F. De Angelis
Instability of tin iodide perovskites: Bulk p-doping vs. surface tin oxidation
ACS Energy Lett., 5, 2787-2795 (2020)
https://doi.org/10.1021/acsenergylett.0c01174

F. Ambrosio, E. Mosconi, A. A. Alasmari, F. A. S. Alasmary, D. Meggiolaro, F. De Angelis
Formation of colour centres in lead-iodide perovskites: Self-trapping and defects in bulk and surfaces
Chem. Mater., 32, 6916-6924 (2020)
https://doi.org/10.1021/acs.chemmater.0c02005

E. Radicchi, A. Kachmar, E. Mosconi, B. Bizzarri, F. Nunzi, F. De Angelis
Structural and Optical Properties of Solvated PbI2 in γ-Butyrolactone: Insight into the Solution Chemistry of Lead Halide Perovskite Precursors
J. Phys. Chem. Lett., 11, 6139-6145 (2020)
https://doi.org/10.1021/acs.jpclett.0c01890

D. Ricciarelli, E. Mosconi, B. Merabet, O. Bizzarri, F. De Angelis
Electronic Properties and Carrier Trapping in Bi and Mn Co-doped CsPbCl3 Perovskite
J. Phys. Chem. Lett., 11, 5482–5489 (2020)
https://doi.org/10.1021/acs.jpclett.0c01567

F. Ambrosio, D. Meggiolaro, E. Mosconi, F. De Angelis
Charge localization and trapping at surfaces in lead-iodide perovskites: the role of polarons and defects
J. Mater. Chem. A, 8, 6882–6892 (2020)
https://doi.org/10.1039/D0TA00798F

D. Meggiolaro, D. Ricciarelli, A. A. Alasmari, F. A. S. Alasmary, F. De Angelis
Tin vs. Lead Redox Chemistry Modulates Charge Trapping and Self Doping in Tin/Lead-Iodide Perovskites
J. Phys. Chem. Lett., 11, 3546–3556 (2020)
https://doi.org/10.1021/acs.jpclett.0c00725

J. C. Brauer, D. Tsokkou, S. Sanchez, N. Droseros, B. Roose, E. Mosconi, X. Hua, M. Stolterfoht, D. Neher, U. Steiner, F. De Angelis, A. Abate, N. Banerji
Comparing the excited-state properties of a mixed-cation–mixed-halide perovskite to methylammonium lead iodide
J. Chem. Phys., 152, 104703 (2020)
https://doi.org/10.1063/1.5133021

N. Phung, R. Félix, D. Meggiolaro, A. Al-Ashouri, G. Sousa e Silva, C. Hartmann, J. Hidalgo, H. Köbler, E. Mosconi, B. Lai, R. Gunder, M. Li, Z. K. Wang, K. L. Wang, K. Nie, E. Handick, R. G. Wilks, J. A. Marquez, B. Rech, T. Unold, J. P. Correa-Baena, S. Albrecht, F. De Angelis, M. Bär, A. Abate
The doping mechanism of halide perovskite unveiled by alkaline earth metals
J. Am. Chem. Soc., 142, 2364−2374 (2020)
https://doi.org/10.1021/jacs.9b11637

A. H. Proppe, G. W. Walters, A. Y. Alsalloum, A. A. Zhumekenov, E. Mosconi, S. O. Kelley, F. De Angelis, L. Adamska, P. Umari, O. M. Bakr, E. H. Sargent
Transition Dipole Moments of n = 1, 2, and 3 Perovskite Quantum Wells from the Optical Stark Effect and Many-Body Perturbation Theory
J. Phys. Chem. Lett., 11, 716-723 (2020)
https://doi.org/10.1021/acs.jpclett.9b03349

A. Mahata, E. Mosconi, D. Meggiolaro, F. De Angelis
Modulating Band Alignment in Mixed Dimensionality 3D/2D Perovskites by Surface Termination Ligand Engineering
Chem. Mater., 32, 105−113 (2020)
https://doi.org/10.1021/acs.chemmater.9b02560

E. Radicchi, A. Kachmar, E. Mosconi, B. Bizzarri, F. Nunzi, F. De Angelis
Structural and Optical Properties of Solvated PbI2 in γ-Butyrolactone: Insight into the Solution Chemistry of Lead Halide Perovskite Precursors
J. Phys. Chem. Lett., 2020, 11(15), 6139-6145
https://doi.org/10.1021/acs.jpclett.0c01890

S. Borocci, F. Grandinetti, F. Nunzi, N. Sanna
Classifying the chemical bonds involving the noble-gas atoms
New J. Chem., 2020, 44 (34), 14536-14550
https://doi.org/10.1039/d0nj01927e

F. Nunzi, G. Pannacci, F. Tarantelli, L. Belpassi, D. Cappelletti, S. Falcinelli, F. Pirani
Leading Interaction Components In The Structure And Reactivity Of Noble Gases Compounds
Molecules, 2020, 25 (10), 2367
https://doi.org/10.3390/molecules25102367

S. Borocci, F. Grandinetti, N. Sanna, P. Antoniotti, F. Nunzi
Complexes Of Helium With Neutral Molecules: Progress Toward A Quantitative Scale Of Bonding Character
J. Comput. Chem., 2020, 41 (10), 1000-1011
https://doi.org/10.1002/jcc.26146

G. Ciancaleoni, F. Nunzi, L. Belpassi
Charge displacement analysis – A tool to theoretically characterize the charge transfer contribution of halogen bonds
Molecules, 2020, 25 (2), 300
https://doi.org/10.3390/molecules25020300

E. Rossi, M. De Santis, D. Sorbelli, L. Storchi, L. Belpassi, P. Belanzoni
Spin-orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine
Phys. Chem. Chem. Phys. 2020, 22, 1897-1910

D. Sorbelli, M. De Santis, P. Belanzoni, L. Belpassi
Spectroscopic/Bond Property Relationship in Group 11 Dihydrides via Relativistic Four-Component Methods
J. Phys. Chem. A 2020, 124, 50, 10565–10579

D. Ricciarelli, L. Belpassi, J.N. Harvey, P. Belanzoni
Spin-Forbidden Reactivity of Transition Metal Oxo Species: Exploring the Potential Energy Surfaces
Chem. Eur. J. 2020, 26, 3080-3089

J. Segato, A. Del Zotto, L. Belpassi, P. Belanzoni, D. Zuccaccia
Hydration of alkynes catalyzed by [Au(X)(L)(ppy)]X in the green solvent γ-valerolactone under acid-free conditions: The importance of the pre-equilibrium step
Catal. Sci. Technol. 2020,10, 7757-7767

D. Sorbelli, P. Belanzoni, T. Saue, L. Belpassi
Ground and excited electronic states of AuH2: Via detachment energies on AuH2-using state-of-the-art relativistic calculations
Phys. Chem. Chem. Phys. 2020, 22, 26742-26752