Paola Nava

54
Documents
Affiliations actuelles
  • Institut des Sciences Moléculaires de Marseille (ISM2)
  • Chimie Theorique et Modèles (CTOM)

Domaines de recherche

Chimie Chimie théorique et/ou physique

Publications

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Publications

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Electron-deficient hemicryptophanes for the recognition of anions through anion–π interactions

Louise Miton , Pierre-Antoine Dupin , Elise Antonetti , Marion Jean , Paola Nava et al.
Organic & Biomolecular Chemistry, 2025, 23 (18), ⟨10.1039/D5OB00245A⟩
Article dans une revue hal-05044959 v1
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Molecular building-blocks for anion–π interactions

Élise Antonetti , Yoann Cotelle , Alexandre Martinez , Paola Nava
Physical Chemistry Chemical Physics, 2025, 27 (34), pp.17997 - 18004. ⟨10.1039/d5cp01879j⟩
Article dans une revue hal-05228205 v1
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Spectroscopy of End-On Copper(II) Superoxido Complexes: A Wave Function-Based Analysis

Léo Chaussy , Vijay Gopal Chilkuri , Stéphane Humbel , Paola Nava
Inorganic Chemistry, 2024, 63 (18), pp.8038-8049. ⟨10.1021/acs.inorgchem.3c04401⟩
Article dans une revue hal-04595349 v1
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Self-assembled tetrazine cryptophane for ion pair recognition and guest release by cage disassembly

Louise Miton , Elise Antonetti , Marie Poujade , Jean-Pierre Dutasta , Paola Nava et al.
Chemical Communications, 2024, 60, pp.5217 - 5220. ⟨10.1039/D4CC01421A⟩
Article dans une revue hal-04562553 v1
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Light-Induced Reactivity Switch at O2–Activating Bioinspired Copper(I) Complexes

Donglin Diao , Anna Baidiuk , Leo Chaussy , Iago de Assis Modenez , Xavi Ribas et al.
JACS Au, In press, ⟨10.1021/jacsau.4c00184⟩
Article dans une revue hal-04564103 v1
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Atropisomeric N‐Heterocyclic Carbene‐Palladium(II) Complexes: Influence of the Backbone Substitution

Yajie Chou , Mathilde Vançon , Muriel Albalat , Carla Deschodt , Paola Nava et al.
European Journal of Inorganic Chemistry, 2024, 27 (12), ⟨10.1002/ejic.202300780⟩
Article dans une revue hal-04781573 v1
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The Adaptative Modulation of the Phosphinito–Phosphinous Acid Ligand: Computational Illustration Through Palladium-Catalyzed Alcohol Oxidation

Romain Membrat , Tété Etonam Kondo , Alexis Agostini , Alexandre Vasseur , Paola Nava et al.
Molecules, 2024, 29 (21), pp.4999. ⟨10.3390/molecules29214999⟩
Article dans une revue hal-04760697 v1
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Template-Directed In Crystallo Photopolymerization of a Donor–Acceptor Cyclopropane: When Everything Falls into Place!

Michel Giorgi , Kévin Masson , Sara Chentouf , Laurent Commeiras , Paola Nava et al.
Journal of the American Chemical Society, In press, ⟨10.1021/jacs.4c04899⟩
Article dans une revue hal-04617160 v1
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Theoretical Mechanism Study of BH 3 ‐Mediated Reduction of P‐Stereogenic Hydroxyalkylphosphine Oxides

Jean‐marc Mattalia , Guilhem Javierre , Rémy Fortrie , Gérard Buono , Paola Nava et al.
European Journal of Organic Chemistry, 2024, 27 (29), pp.e202400375. ⟨10.1002/ejoc.202400375⟩
Article dans une revue hal-04847998 v1
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Straightforward Access to Chiral Phosphangulene Derivatives

Emile Vandeputte , Elise Antonetti , Paola Nava , Jean-Pierre Dutasta , Bastien Chatelet et al.
Journal of Organic Chemistry, 2024, 89 (8), pp.5314-5319. ⟨10.1021/acs.joc.3c02674⟩
Article dans une revue hal-04851803 v1
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C2 -Symmetric atropisomeric N-heterocyclic carbene–palladium( ii ) complexes: synthesis, chiral resolution, and application in the enantioselective α-arylation of amides

Lingyu Kong , Yajie Chou , Muriel Albalat , Marion Jean , Nicolas Vanthuyne et al.
Dalton Transactions, 2023, 52 (25), pp.8728-8736. ⟨10.1039/d3dt01182h⟩
Article dans une revue hal-04142950 v1
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Chiral Atropisomeric-NHC Catechodithiolate Ruthenium Complexes for Z-Selective Asymmetric Ring-Opening Cross Metathesis of Exo-Norbornenes

Jennifer Morvan , Dylan Bouëtard , Lingyu Kong , Yajie Chou , Thomas Vives et al.
Chemistry - A European Journal, 2023, pp.e202300341. ⟨10.1002/chem.202300341⟩
Article dans une revue hal-04061751 v1

A Cyclotriveratrylene Solvent‐Dependent Chiral Switch

Louise Miton , Élise Antonetti , Diego García-López , Paola Nava , Vincent Robert et al.
Chemistry - A European Journal, 2023, ⟨10.1002/chem.202303294⟩
Article dans une revue hal-04382458 v1
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Designing Donor‐Acceptor Cyclopropane for the ThermalSynthesis of Carbocyclic Eight‐Membered Rings ("Featured in Org. Chem. Highlights » / https://www.organic-chemistry.org/Highlights/2023/11December.shtm)

Kévin Masson , Maxime Dousset , Bohdan Biletskyi , Sara Chentouf , Jean‐valère Naubron et al.
Advanced Synthesis and Catalysis, 2023, 365 (7), pp.1002-1011. ⟨10.1002/adsc.202300015⟩
Article dans une revue hal-04153558 v1
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Mechanistic insight into cobalt-mediated [2 + 2 + 2]-cycloaddition reactions with γ-alkylidenebutenolide and γ-alkylidenebuterolactam as 2π partners

Léo Chaussy , Marion Delorme , Alexander Punter , Yannick Carissan , Jean-Luc Parrain et al.
Dalton Transactions, 2023, 52 (39), pp.14123-14131. ⟨10.1039/d3dt02291a⟩
Article dans une revue hal-04235181 v1
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A caged tris(2-pyridylmethyl)amine ligand equipped with a C triazole –H hydrogen bonding cavity

Gege Qiu , Donglin Diao , Leo Chaussy , Sabine Michaud-Chevallier , A. Jalila Simaan et al.
Dalton Transactions, 2022, 51 (28), pp.10702-10706. ⟨10.1039/d2dt00607c⟩
Article dans une revue hal-03789423 v1
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Transition metal complexes bearing atropisomeric saturated NHC ligands

Mariia Savchuk , Lucas Bocquin , Muriel Albalat , Marion Jean , Nicolas Vanthuyne et al.
Chirality, 2022, 34 (1), pp.13-26. ⟨10.1002/chir.23378⟩
Article dans une revue hal-03500191 v1
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Circularly polarized luminescence of encaged Eu(<scp>iii</scp>) and Tb(<scp>iii</scp>) complexes controlled by an inherently chiral remote unit

Estelle Godart , Oriane Della-Negra , Augustin Long , Alberto Insuasty , Lorenzo Arrico et al.
New Journal of Chemistry, 2022, 46, pp.20154 - 20159. ⟨10.1039/d2nj02360a⟩
Article dans une revue hal-03961762 v1
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Accurate computed singlet–triplet energy differences for cobalt systems: implication for two-state reactivity

Léo Chaussy , Denis Hagebaum-Reignier , Stéphane Humbel , Paola Nava
Physical Chemistry Chemical Physics, 2022, 24 (36), pp.21841-21852. ⟨10.1039/D2CP03291K⟩
Article dans une revue hal-03836748 v1
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Rationalization of chirality transfer and fast conformational changes in a tris(2-pyridylmethyl) amine-based cage †

Gege Qiu , Djamel Eddine Khatmi , Alexandre Martinez , Paola Nava
RSC Advances, 2021, ⟨10.1039/d1ra01761f⟩
Article dans une revue hal-03196895 v1
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A tris(benzyltriazolemethyl)amine-based cage as a CuAAC ligand tolerant to exogeneous bulky nucleophiles

Gege Qiu , Paola Nava , Alexandre Martinez , Cédric Colomban
Chemical Communications, 2021, 57 (18), pp.2281-2284. ⟨10.1039/D0CC08005E⟩
Article dans une revue hal-03175776 v1
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C 1 ‐Symmetric Atropisomeric NHC Palladium(II) Complexes: Synthesis, Resolution and Characterization

Lingyu Kong , Yajie Chou , Marion Jean , Muriel Albalat , Nicolas Vanthuyne et al.
Advanced Synthesis and Catalysis, 2021, 363 (17), pp.4229-4238. ⟨10.1002/adsc.202100491⟩
Article dans une revue hal-03338494 v1
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From Prochiral N-Heterocyclic Carbenes to Optically Pure Metal Complexes New Opportunities in Asymmetric Catalysis

Lingyu Kong , Jennifer Morvan , Delphine Pichon , Marion Jean , Muriel Albalat et al.
Journal of the American Chemical Society, 2020, 142 (1), pp.93-98. ⟨10.1021/jacs.9b12698⟩
Article dans une revue hal-02442228 v1
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Control and Transfer of Chirality Within Well-Defined Tripodal Supramolecular Cages

Gege Qiu , Paola Nava , Cédric Colomban , Alexandre Martinez
Frontiers in Chemistry, 2020, 8, ⟨10.3389/fchem.2020.599893⟩
Article dans une revue hal-03153583 v1
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Pseudopotential‐fragment spectroscopy for organic molecules and carbon allotropes

Alexander Punter , Paola Nava , Yannick Carissan
International Journal of Quantum Chemistry, 2020, 120 (11), ⟨10.1002/qua.26180⟩
Article dans une revue hal-02980288 v1
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C-C Bond Breaking in Addition-Elimination Reactions on Nitriles

Jean-Marc Mattalia , Paola Nava
European Journal of Organic Chemistry, 2019, 2019 (15), pp.2621-2628. ⟨10.1002/ejoc.201900119⟩
Article dans une revue hal-02125621 v1
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When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt( iii )-complexes

Marion Delorme , Alexander Punter , Raquel Oliveira , Corinne Aubert , Yannick Carissan et al.
Dalton Transactions, 2019, 48 (42), pp.15767-15771. ⟨10.1039/C9DT03311D⟩
Article dans une revue hal-02354762 v1
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Investigation of the rhodium-catalyzed hydroboration of NHC-boranes: the role of alkene coordination and the origin of enantioselectivity †

Paola Nava , Momar Toure , Amel Abdou Mohamed , Jean-Luc Parrain , Olivier Chuzel
Dalton Transactions, 2019, 48, pp.17605 - 17611. ⟨10.1039/C9DT03660A⟩
Article dans une revue hal-02395349 v1
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Atomic pseudopotentials for reproducing π-orbital electron behavior in sp 2 carbon atoms

Alexander Punter , Paola Nava , Yannick Carissan
International Journal of Quantum Chemistry, 2019, pp.e25914. ⟨10.1002/qua.25914⟩
Article dans une revue hal-02048996 v1

Highly diastereoselective preparation of chiral NHC-boranes stereogenic at the boron atom

Clara Aupic , Amel Abdou Mohamed , Carlotta Figliola , Paola Nava , Beátrice Tuccio et al.
Chemical Science, 2019, 10 (26), pp.6524-6530. ⟨10.1039/C9SC01454C⟩
Article dans une revue hal-02149393 v1
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Synthesis of Gold(I) Complexes Bearing Verkade's Superbases

Bastien Chatelet , Paola Nava , Hervé Clavier , Alexandre Martinez
European Journal of Inorganic Chemistry, 2017, 2017 (37), pp.4311 - 4316. ⟨10.1002/ejic.201700897⟩
Article dans une revue hal-01651052 v1
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Reply to the ‘Comment on “trans-1,2-Disiloxybenzocyclobutene, an adequate partner for the auto-oxidation: EPR/spin trapping and theoretical studies”’ by H.-G. Korth, P. Mulder and T. Paul, Phys. Chem. Chem. Phys., 2017, 19 , C6CP04187F

Paola Nava , Yannick Carissan , Beátrice Tuccio , Laurent Commeiras , Jean-Luc Parrain
Physical Chemistry Chemical Physics, 2017, 19 (4), pp.3409-3413. ⟨10.1039/c6cp07923g⟩
Article dans une revue hal-01651059 v1

Corrigendum: Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands

Paola Nava , Hervé Clavier , Laurent Giordano , Gerard Buono , Stéphane Humbel
ChemCatChem, 2016, 8 (2), pp.471 - 471. ⟨10.1002/cctc.201501320⟩
Article dans une revue hal-01644570 v1

A Computational Study of the Intramolec­ular Carbolithiation of Aryllithiums: Solvent and Substituent Effects

Jean-Marc Mattalia , Paola Nava
European Journal of Organic Chemistry, 2016, 2016 (2), pp.394 - 401. ⟨10.1002/ejoc.201501208⟩
Article dans une revue istex hal-01450750 v1
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Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands

Paola Nava , Hervé Clavier , Yves Gimbert , Laurent Giordano , Gérard Buono et al.
ChemCatChem, 2015, 7 (23), pp.3848-3854. ⟨10.1002/cctc.201500809⟩
Article dans une revue hal-01409758 v1

On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule

Paola Nava , Yannick Carissan , Jean Drujon , Fanny Grau , Julien Godeau et al.
ChemCatChem, 2014, ChemCatChem, 6, pp.500 - 507. ⟨10.1002/cctc.201300952⟩
Article dans une revue istex hal-01347469 v1
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On the ring-opening of substituted cyclobutene to benzocyclobutene: analysis of pi delocalization, hyperconjugation, and ring strain

Paola Nava , Yannick Carissan
Physical Chemistry Chemical Physics, 2014, pp.16196. ⟨10.1039/c4cp01695e⟩
Article dans une revue hal-01141483 v1

Gold-catalyzed cycloisomerizations of 1,6-enynes. A computational study

Jean-Marc Mattalia , Paola Nava
Journal of Organometallic Chemistry, 2014, 749, pp.335 - 342. ⟨10.1016/j.jorganchem.2013.09.041⟩
Article dans une revue hal-01450759 v1

Bonding of Gold with Unsaturated Species

Paola Nava , Denis Hagebaum-Reignier , Stéphane Humbel
ChemPhysChem, 2012, 13 (8), pp.2090 - 2096. ⟨10.1002/cphc.201101065⟩
Article dans une revue istex hal-01450857 v1

N-Heterocyclic carbene mediated organocatalytic transfer of tin onto aldehydes: An easy access to syn-diols and mechanistic studies

Romain Blanc , Paola Nava , Michel Rajzman , Laurent Commeiras , Jean-Luc Parrain
Advanced Synthesis and Catalysis, 2012, 354, pp.2049-2056. ⟨10.1002/adsc.201200063⟩
Article dans une revue istex hal-00736643 v1

Do Platinum(II) and Palladium(II) Phosphinito Phosphinous Acids Generate the Same Type of Reactive Intermediate in Alkyne Coordination? A Gas-Phase Study with Phenylethyne and Propargyl Acetate

Magdalena Karanik , Denis Lesage , Yves Gimbert , Paola Nava , Stéphane Humbel et al.
Organometallics, 2011, 30 (18), pp.4814 - 4821. ⟨10.1021/om200234c⟩
Article dans une revue hal-01450817 v1

InIII-Catalysed Tandem C-C and C-O Bond Formation between Phenols and Allylic Acetates

Vito Vece , Jérémy Ricci , Sophie Poulain-Martini , Paola Nava , Yannick Carissan et al.
European Journal of Organic Chemistry, 2010, 2010 (32), pp.6239 - 6248. ⟨10.1002/ejoc.201000738⟩
Article dans une revue istex hal-01447589 v1

Labile ligands on some Lewis super acids: a computational study

Paola Nava , Yannick Carissan , Stéphane Humbel
Physical Chemistry Chemical Physics, 2009, 11 (33), ⟨10.1039/b907229b⟩
Article dans une revue istex hal-01447594 v1

Theoretical Investigation of Clusters of Phosphorus and Arsenic: Fascination and Temptation of High Symmetries

Paola Nava , Reinhart Ahlrichs
Chemistry - A European Journal, 2008, 14 (13), pp.4039 - 4045. ⟨10.1002/chem.200701927⟩
Article dans une revue istex hal-01450808 v1

Gallium( I )–alkaline earth metal donor–acceptor bonds

Michal Wiecko , Peter W. Roesky , Paola Nava , Reinhart Ahlrichs , Sergey N. Konchenko
Chemical Communications, 2007, 9, pp.927 - 929. ⟨10.1039/b614165j⟩
Article dans une revue istex hal-01450805 v1

Al-Eu and Al-Yb Donor–Acceptor Bonds

Michael T. Gamer , Peter W. Roesky , Sergey N. Konchenko , Paola Nava , Reinhart Ahlrichs
Angewandte Chemie International Edition, 2006, 45 (27), pp.4447 - 4451. ⟨10.1002/anie.200600423⟩
Article dans une revue istex hal-01450803 v1

The Phosphine-Stabilized Gold–Arsenic Clusters [Au19(AsnPr)8(dppe)6]Cl3, [Au10(AsnPr)4(dppe)4]Cl2, [Au17(AsnPr)6(As2nPr2)(dppm)6]Cl3, and [Au10(AsPh)4(dppe)4]Cl2: Synthesis, Characterization, and DFT Calculations

Paloma Sevillano , Olaf Fuhr , Marco Kattannek , Paola Nava , Oliver Hampe et al.
Angewandte Chemie International Edition, 2006, 45 (22), pp.3702 - 3708. ⟨10.1002/anie.200504566⟩
Article dans une revue istex hal-01450802 v1

Synthesis and Structure of[Ag26In18S36Cl6(dppm)10(thf)4][InCl4(thf)]2—A Combined Approach of Theory and Experiment

Reinhart Ahlrichs , Andreas Eichhöfer , Dieter Fenske , Oliver Hampe , Manfred M. Kappes et al.
Angewandte Chemie International Edition, 2004, 43 (29), pp.3823 - 3827. ⟨10.1002/anie.200460052⟩
Article dans une revue istex hal-01450796 v1

An Evaluation by Density Functional Theory of M−M Interactions in Organometallic Clusters with the [Fe 3 MoS 3 ] 2+ Cores

Paola Nava , Jaehong Han , Reinhart Ahlrichs , Dimitri Coucouvanis
Inorganic Chemistry, 2004, 43 (10), pp.3225 - 3229. ⟨10.1021/ic0499392⟩
Article dans une revue hal-01450798 v1

Effects of ligand coverage on properties of palladium clusters. A density functional theory study

Paola Nava , Marek Sierka , Reinhart Ahlrichs
Physical Chemistry Chemical Physics, 2004, 6 (23), ⟨10.1039/b413110j⟩
Article dans une revue istex hal-01450801 v1

Gas-phase geometries and energies ofbis(2,2?-bipyridine) interacting either with Cu(I) or Ag(I): Computational study

Giorgina Corongiu , Paola Nava
International Journal of Quantum Chemistry, 2003, 93 (6), pp.395 - 404. ⟨10.1002/qua.10582⟩
Article dans une revue istex hal-01450767 v1

Density functional study of palladium clusters

Paola Nava , Marek Sierka , Reinhart Ahlrichs
Physical Chemistry Chemical Physics, 2003, 5 (16), pp.3372 - 3381. ⟨10.1039/b303347c⟩
Article dans une revue istex hal-01450790 v1

Density functional theory calculations on the nitrogenase cofactor and synthetic analogs

Dimitri Coucouvanis , Jaehong Han , Reinhart Ahlrichs , Paola Nava , Uwe Huniar
Journal of Inorganic Biochemistry, 2003, 96 (1), ⟨10.1016/S0162-0134(03)80435-X⟩
Article dans une revue istex hal-01450785 v1
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Parité et évaluation non-discriminatoire au CNRS

Louise Jalowiecki-Duhamel , Hazar Guesmi , Jean-François Guillemoles , Myrtil L. Kahn , Paola Nava et al.
[Rapport Technique] Comité Parité, Section 14, Comité National de la Recherche Scientifique CoNRS (mandature 2016-2021). 2021
Rapport (rapport technique) hal-03311372 v1