Publications

2018

• Variations in the Fuel Structure Control the Rate of the Back and Forth Motions of a Chemically Fuelled Molecular Switch

C. Biagini, S. Albano, R. Caruso, L. Mandolini, J. A. Berrocal, S. Di Stefano, Chemical Science 2018, 9, 181−188.

2017

• Direct Hydroxylation of Benzene and Aromatics with H₂O₂ Catalyzed by a Self-Assembled Iron Complex: Evidence for a Metal-based Mechanism

G. Capocasa, G. Olivo, A. Barbieri, O. Lanzalunga, S. Di Stefano, Catalysis Science & Technology 2017, 7, 5677−5686.

• Supramolecular recognition allows remote, site-selective C-H oxidation of methylenic sites in linear amines

G. Olivo, G. Farinelli, A. Barbieri, O. Lanzalunga, S. Di Stefano, M. Costas,  Angewandte Chemie International Edition 2017, 56, 16347−16351.

• Following a Chemical Reaction on the Millisecond Time Scale by Simultaneous X-ray and UV/Vis Spectroscopy

G. Olivo, A. Barbieri, V. Dantignana, F. Sessa, V. Migliorati, M. Monte, S. Pascarelli, T. Narayanan, O. Lanzalunga, S. Di Stefano, P. D’Angelo, Journal of Physical Chemistry Letters 2017, 8, 2958−2963.

• Formation of Imidazo[1,5–a]pyridine Derivatives Due to the Action of Fe²⁺ on Dynamic Libraries of Imines 

S. Albano, G. Olivo, L. Mandolini, C. Massera, F. Ugozzoli, S. Di Stefano, Journal of Organic Chemistry 2017, 82, 3820−3825.

• Influence of Topology on the Gelation Behavior of Coordination Polymers prepared via ROMP of Macrocyclic Olefins

S. Albano, A. Fantozzi, J. A. Berrocal, S. Di Stefano, Journal of Polymer Science, Part A: Polymer Chemistry 2017, 55, 1237–1242.

• Statistical Ring Catenation under Thermodynamic Control: Should the Jacobson−Stockmayer Cyclization Theory Take into Account Catenane Formation?

S. Di Stefano, G. Ercolani, Journal of Physical Chemistry B 2017, 112, 649–656.

• Role of Electron Transfer Processes in the Oxidation of Aryl Sulfides Catalysed by Nonheme Iron Complexes

A. Barbieri, S. Di Stefano, O. Lanzalunga, A. Lapi, M. Mazzonna, G. Olivo, Phosphorus, Sulfur and Silicon and the Related Elements 2017, 112, 241–244.

2016

• Electron Transfer Mechanism in the Oxidation of Aryl 1–Methyl–1–phenylethyl Sulfides Promoted by Nonheme Iron(IV)–Oxo Complexes: The Rate of the Oxygen Rebound Process

A. Barbieri, T. Del Giacco, S. Di Stefano, O. Lanzalunga, A. Lapi, M. Mazzonna, G. Olivo, Journal of Organic Chemistry 2016, 81, 12382–12387.

• Alcohol oxidation with H₂O₂ catalyzed by a cheap and promptly available imine based iron complex

G. Olivo, S. Giosia, A. Barbieri, O. Lanzalunga, S. Di Stefano, Organic & Biomolecular Chemistry 2016, 14, 10630–10635.

• Equilibrium Effective Molarity as a Key Concept in Ring-Chain Equilibria, Dynamic Combinatorial Chemistry, Cooperativity, and Self-Assembly

S. Di Stefano, G. Ercolani, Advances in Physical Organic Chemistry 2016, 50, 1–76.

• Coupling of the Decarboxylation of 2–Cyano–2–phenylpropanoic Acid to Large Amplitude Motions: a Convenient Fuel for an Acid–Base Operated Molecular Switch

J. A. Berrocal, C. Biagini, L. Mandolini, S. Di Stefano, Angewandte Chemie International Edition 2016, 55, 6997–7001.

• Oxidation of Aryl Diphenylmethyl Sulfides Promoted by a Non-Heme Iron(IV)–Oxo Complex: Evidence for an Electron Transfer-Oxygen Transfer Mechanism

A. Barbieri, R. De Carlo Chimienti, T. Del Giacco, S. Di Stefano, O. Lanzalunga, A. Lapi, M. Mazzonna, G. Olivo, M. Salamone, Journal of Organic Chemistry 2016, 81, 2513−2520.

• Nonheme Imine-based Iron Complexes as Catalysts for Oxidative Processes

G. Olivo, O. Lanzalunga, S. Di Stefano, Advanced Synthesis & Catalysis, 2016, 358, 843−863.

• Catenation Equilibria between Ring Oligomers and their Relation to Effective Molarities. Models from Theories and Simulations

S. Di Stefano, G. Ercolani, Macromolecular Theory and Simulations 2016, 25, 63–73.

2015

• C–H Bond Oxidation Catalyzed by an Imine Based Iron Complex: A Mechanistic Insight

G. Olivo, M. Nardi, D. Vìdal-Sanchez, A. Barbieri, A. Lapi, L. Gómez, O. Lanzalunga, M. Costas, S. Di Stefano, Inorganic Chemistry 2015, 54, 10141–10152.

• A CuI–Based Metallo–Supramolecular Gellike Material Built from a Library of Oligomeric Ligands Featuring Exotopic 1,10–Phenanthroline Units

J. A. Berrocal, S. Albano, L. Mandolini, S. Di Stefano, European Journal of Organic Chemistry 2015, 7504–7510.

• Ring–opening Metathesis Polymerization of a Diolefinic [2]–Catenane–copper(I) Complex: An Easy Route to Polycatenanes

J. A. Berrocal, L. M. Pitet, M. M. L. Nieuwenhuizen, L. Mandolini, E. W. Meijer, S. Di Stefano, Macromolecules 2015, 48, 1358–1363.

• Isotope Effect Profiles in the N–demethylation of N,N–dimethylanilines. A Key to Determine the pK_a of Nonheme Fe(III)–OH Complexes

A. Barbieri, M. De Gennaro, S. Di Stefano, O. Lanzalunga, A. Lapi, M. Mazzonna, G. Olivo, B. Ticconi, Chemical Communications 2015, 51, 5032–5035.

• Mechanisms of imine exchange reactions in organic solvents

M. Ciaccia, S. Di Stefano, Organic & Biomolecular Chemistry 2015, 13, 646–654.

• Applications of Dynamic Combinatorial Chemistry for the Determination of Effective Molarity

M. Ciaccia, I. Tosi, L. Baldini, R. Cacciapaglia, L. Mandolini, S. Di Stefano, C. A. Hunter, Chemical Science 2015, 6, 144–151.

2014

• Supramolecular Control of Reactivity and Catalysis. Effective Molarities of Recognition-Mediated Bimolecular Reactions

S. Di Stefano, R. Cacciapaglia, L. Mandolini, European Journal of Organic Chemistry 2014, 7304–7315.

• Copper(I)–Induced Amplification of a [2]catenane in a Virtual Dynamic Library of Macrocyclic Alkenes

J. A. Berrocal, M. M. L. Nieuwenhuizen, L. Mandolini, E. W. Meijer, S. Di Stefano, Organic & Biomolecular Chemisty, 2014, 12, 6167–6174.

• Hydrocarbon Oxidation Catalyzed by a Cheap Nonheme Imine–based Iron(II) Complex

G. Olivo, G. Arancio, L. Mandolini, O. Lanzalunga, S. Di Stefano, Catalysis Science & Technology 2014, 4, 2900–2903.

• Effective Catalysis of Imine Metathesis by means of Fast Transiminations between Aromatic-Aromatic or Aromatic-Aliphatic Amines

M. Ciaccia, S. Pilati, R. Cacciapaglia, L. Mandolini, S. Di Stefano, Organic & Biomolecular Chemistry 2014, 12, 3282–3287.

2013

• Substituent Effects on the Catalytic Activity of Bipyrrolidine–Based Iron Complexes

G. Olivo, O. Lanzalunga, L. Mandolini, S. Di Stefano, Journal of Organic Chemistry 2013, 78, 11508–11512.

• Reactivity of carbonyl and phosphoryl groups at calixarenes

R. Cacciapaglia, S. Di Stefano, L. Mandolini, R. Salvio, Supramolecular Chemistry 2013, 25, 537–554.

• One-Shot Preparation of an Inherently Chiral Trifunctional Calix[4]arene from an Easily Available Cone–Triformylcalix[4]arene

M. Ciaccia, I. Tosi, R. Cacciapaglia, A. Casnati, L. Baldini, S. Di Stefano, Organic & Biomolecular Chemistry 2013, 11, 3642–2648.

• Fast Transimination in Organic Solvents in the Absence of Proton and Metal Catalysts. A Key to Imine Metathesis Catalyzed by Primary Amines under Mild Conditions

M. Ciaccia, R. Cacciapaglia, P. Mencarelli, L. Mandolini, S. Di Stefano, Chemical Science 2013, 4, 2253–2261.

• Naphthalenophane Formaldehyde Acetals as Candidate Structures for the Generation of Dynamic Libraries via Transacetalation Processes

A. Ruggi, R. Cacciapaglia, S. Di Stefano, E. Bodo, F. Ugozzoli, Tetrahedron 2013, 69, 2767–2774.

2012

• A Highly Efficient Intramolecular Cannizzaro Reaction between 1,3–Distal Formyl Groups at the Upper Rim of a cone–Calix[4]arene

M. Galli, J. A. Berrocal, S. Di Stefano, R. Cacciapaglia, L. Mandolini, L. Baldini, A. Casnati, F. Ugozzoli, Organic & Biomolecular Chemistry, 2012, 10, 5109–5012.

• A Photodynamic Library of Tetrasulfinylcalix[4]arenes: the Sulfinyl Dance

R. Cacciapaglia, S. Di Stefano, O. Lanzalunga, L. Maugeri, M. Mazzonna, European Journal of Organic Chemistry 2012, 1426–1430.

• Target-Induced Amplification in a Dynamic Library of Macrocycles. A Quantitative Study

J. A. Berrocal, R. Cacciapaglia, S. Di Stefano, Luigi Mandolini, New Journal of Chemistry 2012, 36, 40–43.

2011

• A Well-Behaved Dynamic Library of Cyclophane Formaldehyde Acetals Incorporating Diphenylmethane Units

J. A. Berrocal, R. Cacciapaglia, S. Di Stefano, Organic & Biomolecular Chemistry 2011, 9, 8190–8194.

• Photophysical Study of Naphthalenophanes: Evidence of Adduct Formation with Molecular Oxygen

L. Rodríguez, J. C. Lima, F. Pina, R. Cacciapaglia, S. Di Stefano, A. Ruggi, Journal of Physical Chemistry A 2011, 115, 123–127.

• Photoinversion of Sulfoxides as a Source of Diversity in Dynamic Combinatorial Chemistry

S. Di Stefano, M. Mazzonna, E. Bodo, L. Mandolini, O. Lanzalunga, Organic Letters 2011, 13, 142–145.

2010

• Theorethical Features of Macrocyclization Equilibria and Their Application on Transacetalation Based Dynamic Libraries

S. Di Stefano, Journal of Physical Organic Chemistry 2010, 23, 797–805.

• Electron transfer from wheel to axle in a rotaxane. A mass spectrometric investigation

S. Pasquale, S. Di Stefano, B. Masci, New Journal of Chemistry 2010, 34, 426–431.

• Reactivity Control by Calixarenes

R. Cacciapaglia, S. Di Stefano, L. Mandolini, Molecular Encapsulation: Organic Reactions in Constrained Systems (Eds.: U. H. Brinker, J.-L. Mieusset), 2010, 201–224, Wiley and Sons Ltd., Chichester, West-Sussex (UK).

2009

• Combinatorial Macrocyclizations under Thermodynamic Control: the Two–monomer Case

R. Cacciapaglia, S. Di Stefano, G. Ercolani, L. Mandolini,  Macromolecules 2009, 42, 4077–4083.

2008

• On the ‘livingness’ of a dynamic library of cyclophane formaldehyde acetals incorporating calix[4]arene subunits

R. Cacciapaglia, S. Di Stefano, L. Mandolini,  Journal of Physical Organic Chemistry 2008, 21, 688–693.

• Ring–Expanding Polymerization by Reversible Ring Fusion. A Fascinating Process Driven by Entropy

G. Ercolani, S. Di Stefano, Journal of Physical Chemistry B 2008, 112, 4662–4665.

• Catalysis of Acyl Transfer Processes by Crown–Ether Supported Alkaline–Earth Metal Ions

R. Cacciapaglia, S. Di Stefano, L. Mandolini, Supramolecular Catalysis, (Ed.: Piet W. N. M. van Leeuwen), 2008, 113–142, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim (DE).

• Metathesis Reactions of Formaldehyde Acetals – Experimental and Computational Investigation of Isomeric Families of Cyclophanes under Dynamic Conditions

R. Cacciapaglia, S. Di Stefano, L. Mandolini, P. Mencarelli, F. Ugozzoli, European Journal of Organic Chemistry 2008, 186–195.

2006

• A Ring–Fusion/Ring–Fission Mechanism for the Metathesis Reaction of Macrocyclic Formaldehyde Acetals

R. Cacciapaglia, S. Di Stefano, L. Mandolini,  Chemistry – A European Journal, 2006, 12, 8566–8570.

2005

• Metathesis Reaction of Formaldeheyde Acetals: An Easy Entry into the Dynamic Covalent Chemistry of Cyclophane Formation

R. Cacciapaglia, S. Di Stefano, L. Mandolini,  Journal of the American Chemical Society 2005, 127, 13666–13671.

2004

• Dinuclear Barium(II) Complexes Based on a Calix[4]arene Scaffold as Catalysts of Acyl Transfer

R. Cacciapaglia, A. Casnati, S. Di Stefano, L. Mandolini, D. Paolemili, D. N. Reinhoudt, A. Sartori, R. Ungaro, Chemistry – A European Journal 2004, 10, 4336–4342.

• Zwitterion Receptors

S. Di Stefano, L. Mandolini, P. Breccia, J. de Mendoza, Encyclopedia of Supramolecular Chemistry, Vol. 1, (Eds.: J. R. Atwood, J. W. Steed), 2004, 1639–1647, Marcel–Dekker Inc., New York (US).

• Concave reagents: Part 40 – The copper(II) complex of a concave reagent as a selective catalyst for ester methanolysis

R. Cacciapaglia, S. Di Stefano, F. Fahrenkrug, U. Lüning, L. Mandolini, Journal of Physical Organic Chemistry 2004, 17, 350–355.

• Effective Molarities in Supramolecular Catalysis of Two Substrate Reactions

R. Cacciapaglia, S. Di Stefano, L. Mandolini,  Accounts of Chemical Research 2004, 37, 113–122.

2003

• The Bis–Barium Complex of a Butterfly Crown Ether as a Phototunable Supramolecular Catalyst

R. Cacciapaglia, S. Di Stefano, L. Mandolini, Journal of the American Chemical Society 2003, 125, 2224–2227.

2002

• 6–exo–Hydroxybicyclo[2.2.2]octan–2–ones from the Corresponding Acetates by Methanolysis in the Presence of CH₃ONa/La(OTf)₃

S. Di Stefano, F. Leonelli, B. Garofalo, L. Mandolini, R. Marini Bettolo, L. M. Migneco,  Organic Letters 2002, 4, 2783–2785.

• Size–Selective Catalysis of Ester and Anilide Cleavage by the Dinuclear Barium(II) Complexes of cis–and trans–Stilbenobis(18–crown–6)

R. Cacciapaglia, S. Di Stefano, L. Mandolini, Journal of Organic Chemistry 2002, 67, 521–525.

2001

• A Dinuclear Strontium(II) Complex as Substrate Selective Catalyst of Ester Cleavage

R. Cacciapaglia, S. Di Stefano, L. Mandolini,  Journal of Organic Chemistry 2001, 66, 5926–5928.

2000

• Towards an Artificial Acetylcholinesterase

F. Cuevas, S. Di Stefano, O. J. Magrans, P. Prados, J. de Mendoza, L. Mandolini, Chemistry – A European Journal 2000, 6, 3228–3234.

1999

• Supramolecular Catalysis of Ester and Amide Cleavage by a Dinuclear Barium(II) Complex

R. Cacciapaglia, S. Di Stefano, E. Kelderman, L. Mandolini, Angewandte Chemie International Edition 1999, 38, 348–351.

1998

• Catalysis of Anilide Ethanolysis by Barium– and Strontium–Ethoxide Pairs and Their Complexes with 18–Crown–6

R. Cacciapaglia, S. Di Stefano, E. Kelderman, L. Mandolini, F. Spadola, Journal of Organic Chemistry 1998, 63, 6476–6479.