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Department of Chemistry ainara.nova@uit.no Tromsø

Ainara Nova


Associate Professor II, Theoretical and Computational Chemistry


  • Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martin; Nova, Ainara. Rational selection of co-catalysts for the deaminative hydrogenation of amides. Chemical Science 2020; Volum 11 (8). ISSN 2041-6520.s 2225 - 2230.s doi: 10.1039/c9sc03812d.
  • Berntsen, Linn Neerbye; Nova, Ainara; Wragg, David; Sandtorv, Alexander Harald. Cu-catalyzed N-3-Arylation of Hydantoins Using Diaryliodonium Salts. Organic Letters 2020; Volum 22 (7). ISSN 1523-7060.s 2687 - 2691.s doi: 10.1021/acs.orglett.0c00642.
  • Gutterød, Emil Sebastian; Pulumati, S.H.; Kaur, Gurpreet; Lazzarini, Andrea; Solemsli, Bjørn Garding; Gunnæs, Anette Eleonora; Ahoba-Sam, Christian; Kalyva, Maria Evangelou; Sannes, Johnny Andreas; Svelle, Stian; Skúlason, Egill; Nova, Ainara; Olsbye, Unni. Influence of Defects and H2O on the Hydrogenation of CO2 to Methanol over Pt Nanoparticles in UiO-67 Metal-Organic Framework. Journal of the American Chemical Society 2020; Volum 142 (40). ISSN 0002-7863.s 17105 - 17118.s doi: 10.1021/jacs.0c07153.
  • Levchenko, Vladimir; Nova, Ainara; Øien-Ødegaard, Sigurd; Balcells, David; Tilset, Mats. Synthesis, Characterization, and Reactivity of Cyclometalated Gold(III) Dihalide Complexes in Aqua Regia. European Journal of Inorganic Chemistry (EurJIC) 2020; Volum 2020 (34). ISSN 1434-1948.s 3249 - 3258.s doi: 10.1002/ejic.202000529.
  • Gutterød, Emil Sebastian; Lazzarini, Andrea; Fjermestad, Torstein; Kaur, Gurpreet; Manzoli, Maela; Bordiga, Silvia; Svelle, Stian; Lillerud, Karl Petter; Skúlason, Egill; Øien-Ødegaard, Sigurd; Nova, Ainara; Olsbye, Unni. Hydrogenation of CO2 to Methanol by Pt Nanoparticles Encapsulated in UiO-67: Deciphering the Role of the Metal−Organic Framework. Journal of the American Chemical Society 2019; Volum 142. ISSN 0002-7863.s 999 - .s doi: 10.1021/jacs.9b10873.
  • Holmsen, Marte Sofie; Nova, Ainara; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats. A highly asymmetric gold(III) η3‐allyl complex. Angewandte Chemie International Edition 2019; Volum 59 (4). ISSN 1433-7851.s 1516 - 1520.s doi: 10.1002/anie.201912315.
  • Leischner, Thomas; Artus Suarez, Lluis; Spannenberg, Anke; Junge, Kathrin; Nova, Ainara; Beller, Matthias. Highly selective hydrogenation of amides catalysed by a molybdenum pincer complex: scope and mechanism. Chemical Science 2019; Volum 10 (45). ISSN 2041-6520.s 10566 - 10576.s doi: 10.1039/c9sc03453f.
  • Balcells, David; Nova, Ainara. Designing Pd and Ni Catalysts for Cross-Coupling Reactions by Minimizing Off-Cycle Species. ACS Catalysis 2018; Volum 8 (4). ISSN 2155-5435.s 3499 - 3515.s doi: 10.1021/acscatal.8b00230.
  • Holmsen, Marte Sofie; Nova, Ainara; Hylland, Knut Tormodssønn; Wragg, David; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats. Synthesis of a (N,C,C) Au(III) pincer complex via Csp3–H bond activation: increasing catalyst robustness by rational catalyst design. Chemical Communications 2018; Volum 54 (79). ISSN 1359-7345.s 11104 - 11107.s doi: 10.1039/c8cc05489d.
  • Artus Suarez, Lluis; Culakova, Zuzana; Balcells, David; Bernskoetter, Wesley H; Eisenstein, Odile; Goldberg, Karen I.; Hazari, Nilay; Tilset, Mats; Nova, Ainara. The Key Role of the Hemiaminal Intermediate in the Iron-Catalyzed Deaminative Hydrogenation of Amides. ACS Catalysis 2018; Volum 8 (9). ISSN 2155-5435.s 8751 - 8762.s doi: 10.1021/acscatal.8b02184.
  • Grajeda, Javier; Nova, Ainara; Balcells, David; Bruch, Quinton J.; Wragg, David; Heyn, Richard H.; Miller, Alexander J.M.; Tilset, Mats. Synthesis and characterization of stable gold(III) PNP pincer complexes. European Journal of Inorganic Chemistry (EurJIC) 2018; Volum 2018 (26). ISSN 1434-1948.s 3113 - 3117.s doi: 10.1002/ejic.201800019.
  • Beromi, Megan Mohadjer; Nova, Ainara; Balcells, David; Brasacchio, Ann M; Brudvig, Gary W.; Guard, Louise M.; Hazari, Nilay; Vinyard, David J. Mechanistic study of an improved Ni precatalyst for Suzuki-Miyaura reactions of aryl sulfamates: Understanding the role of Ni(I) species. Journal of the American Chemical Society 2017; Volum 139 (2). ISSN 0002-7863.s 922 - 936.s doi: 10.1021/jacs.6b11412.
  • Melvin, Patrick R.; Nova, Ainara; Balcells, David; Hazari, Nilay; Tilset, Mats. DFT Investigation of Suzuki-Miyaura Reactions with Aryl Sulfamates Using a Dialkylbiarylphosphine-Ligated Palladium Catalyst. Organometallics 2017; Volum 36 (18). ISSN 0276-7333.s 3664 - 3675.s doi: 10.1021/acs.organomet.7b00642.
  • Vaitla, Janakiram; Guttormsen, Yngve; Mannisto, Jere K.; Nova, Ainara; Repo, Timo; Bayer, Annette; Hopmann, Kathrin Helen. Enantioselective incorporation of CO2: status and potential. (fulltekst) ACS Catalysis 2017; Volum 7 (10). ISSN 2155-5435.s 7231 - 7244.s doi: 10.1021/acscatal.7b02306.
  • Holmsen, Marte Sofie; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor. trans-Mutation at Gold(III): A mechanistic study of a catalytic acetylene functionalization via a double insertion pathway. ACS Catalysis 2017; Volum 7 (8). ISSN 2155-5435.s 5023 - 5034.s doi: 10.1021/acscatal.7b01364.
  • Campos, Jesús; Nova, Ainara; Kolychev, Eugene L.; Aldridge, Simon. A Combined Experimental/Computational Study of the Mechanism of a Palladium-Catalyzed Bora-Negishi Reaction. Chemistry - A European Journal 2017; Volum 23 (51). ISSN 0947-6539.s 12655 - 12667.s doi: 10.1002/chem.201702703.
  • Peltzer, Raphael Mathias; Eisenstein, Odile; Nova, Ainara; Cascella, Michele. How Solvent Dynamics Controls the Schlenk Equilibrium of Grignard Reagents: A Computational Study of CH3MgCl in Tetrahydrofuran. (fulltekst) Journal of Physical Chemistry B 2017; Volum 121 (16). ISSN 1520-6106.s 4226 - 4237.s doi: 10.1021/acs.jpcb.7b02716.
  • Balcells, David; Eisenstein, Odile; Tilset, Mats; Nova, Ainara. Coordination and insertion of alkenes and alkynes in AuIII complexes: nature of the intermediates from a computational perspective. Dalton Transactions 2016; Volum 45 (13). ISSN 1477-9226.s 5504 - 5513.s doi: 10.1039/c5dt05014f.
  • Holmsen, Marte Sofie; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tråseth, Eline Aasen; Heyn, Richard H.; Tilset, Mats. Small-molecule activation at Au(III): metallacycle construction from ethylene, water and acetonitrile. Dalton Transactions 2016; Volum 45 (37). ISSN 1477-9226.s 14719 - 14724.s doi: 10.1039/c6dt01648k.
  • Balcells, David; Clot, Eric; Eisenstein, Odile; Nova, Ainara; Perrin, Lionel. Deciphering Selectivity in Organic Reactions: A Multifaceted Problem. Accounts of Chemical Research 2016; Volum 49 (5). ISSN 0001-4842.s 1070 - 1078.s doi: 10.1021/acs.accounts.6b00099.
  • Melvin, Patrick R.; Nova, Ainara; Balcells, David; Dai, Wei; Hazari, Nilay; Hruszkewycz, Damian P.; Shah, Hemali P.; Tudge, Matthew T.. Design of a Versatile and Improved Precatalyst Scaffold for Palladium-Catalyzed Cross-Coupling: (η3-1-tBu-indenyl)2(μ-Cl)2Pd2. ACS Catalysis 2015; Volum 5 (6). ISSN 2155-5435.s 3680 - 3688.s doi: 10.1021/acscatal.5b00878.
  • Melvin, Patrick R.; Balcells, David; Hazari, Nilay; Nova, Ainara. Understanding Precatalyst Activation in Cross-Coupling Reactions: Alcohol Facilitated Reduction from Pd(II) to Pd(0) in Precatalysts of the Type (η3-allyl)Pd(L)(Cl) and (η3-indenyl)Pd(L)(Cl). ACS Catalysis 2015; Volum 5 (9). ISSN 2155-5435.s 5596 - 5606.s doi: 10.1021/acscatal.5b01291.
  • Nova, Ainara; Suh, Hee-Won; Schmeier, Timothy J.; Guard, Louise M.; Eisenstein, Odile; Hazari, Nilay; Maseras, Feliu. An unusual example of hypervalent silicon: a five-coordinate silyl group bridging two palladium or nickel centers through a nonsymmetrical four-center two-electron bond. Angewandte Chemie International Edition 2014; Volum 53 (4). ISSN 1433-7851.s 1103 - 1108.s doi: 10.1002/anie.201307618.
  • Balcells, David; Nova, Ainara. Nickel(I) Monomers and Dimers with Cyclopentadienyl and Indenyl Ligands. Chemistry - A European Journal 2014; Volum 20. ISSN 0947-6539.s 5327 - .s doi: 10.1002/chem.201305021.
  • Wu, Jianguo; Nova, Ainara; Balcells, David; Brudvig, Gary W.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Lin, Po-Heng; Pokhrel, Ravi; Takase, Michael K.. Nickel(I) monomers and dimers with cyclopentadienyl and indenyl ligands. Chemistry - A European Journal 2014; Volum 20 (18). ISSN 0947-6539.s 5327 - 5337.s doi: 10.1002/chem.201305021.
  • Nova, Ainara; Taylor, David; Blacker, A. John; Duckett, Simon B.; Perutz, Robin N.; Eisenstein, Odile. Computational studies explain the importance of two different substituents on the chelating bis(amido) ligand for transfer hydrogenation by bifunctional Cp*Rh(III) catalysts. Organometallics 2014; Volum 33 (13). ISSN 0276-7333.s 3433 - 3442.s doi: 10.1021/om500356e.
  • Langseth, Eirin; Nova, Ainara; Tråseth, Eline Aasen; Rise, Frode; Øien, Sigurd; Heyn, Richard H; Tilset, Mats. A gold exchange: A mechanistic study of a reversible, formal ethylene insertion into a gold(III)-oxygen bond. Journal of the American Chemical Society 2014; Volum 136 (28). ISSN 0002-7863.s 10104 - 10115.s doi: 10.1021/ja504554u.
  • Nova, Ainara; Balcells, David. Does the metal protect the ancillary ligands? C-H strengthening and deactivation in amines and phosphines upon metal-binding. Chemical Communications 2014; Volum 50 (5). ISSN 1359-7345.s 614 - 616.s doi: 10.1039/c3cc47686c.
  • Nova, Ainara. Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titanium tert-Butoxyimido Compound. Organometallics 2013. ISSN 0276-7333.s doi: 10.1021/om401008a.
  • Olsbye, Unni; Gutterød, Emil Sebastian; Lazzarini, Andrea; Fjermestad, Torstein; Pulumati, S.H.; Nova, Ainara; Skúlason, Egill. Mechanistic studies of CO2 hydrogenation to methanol, methane and CO over Pt-containing Zr-MOFs. ACS Spring meeting 2021 2021-04-05 - 2021-04-09 2021.
  • Levchenko, Vladimir; Tilset, Mats; Nova, Ainara. Synthesis of Cyclometalated Au (III) Complexes for Catalysis and MOF Functionalization. (omtale) 2020; Volum 2020 (2333). ISSN 1501-7710.
  • Brevik, Robert; Nova, Ainara. Rational Design of MOFs for CO2 Capture. (fulltekst) (omtale) 2020.
  • Nova, Ainara. CO2 hydrogenation reactions on metal-organic frameworks: challenges and opportunities. Université de Genève Seminar 2020-12-10 - 2020.
  • Nova, Ainara. Hydrogenation of CO2 to methanol by PtNP@UiO67. SMN Winter Seminar 2020-02-09 - 2020.
  • Nova, Ainara. Rational Design of Homogeneous and Heterogeneous Catalysts for CO2 Hydrogenation to Methanol. Invited lecture 2019-07-15 - 2019.
  • Artús Suàrez, Lluís; Balcells, David; Nova, Ainara. Rational Cocatalyst Design for Amide Hydrogenolysis Based on DFT Calculations. 10th Triennial Congress of the International Society for Theoretical Chemical Physics 2019-07-11 - 2019-07-17 2019.
  • Holmsen, Marte Sofie; Tilset, Mats; Nova, Ainara; Heyn, Richard H.. Small-molecule activation at gold: synthesis, characterization, and reactivity of cyclometalated Au(III) complexes. 2019.
  • Nova, Ainara. Can we transform carbon dioxide into something useful?. Hylleraas day 2019-09-21 - 2019.
  • Nova, Ainara. Computational design of multivariate MOFs for CO2 conversion to methanol. Combination of Theoretical/Computational Studies and Experiments toward PCP/MOF 2019-08-22 - 2019.
  • Nova, Ainara. Mechanistic Insight into the Hydrogenation of Amides by Noyori-type Bifunctional Catalysts. EUCOMC XXIII 2019-06-16 - 2019-06-20 2019.
  • Artus Suarez, Lluis; Nova, Ainara; Balcells, David; Tilset, Mats. Computational study on the iron-catalyzed hydrogenation of amides to methanol and amines. Computational Catalysis for Sustanaible Chemistry 2018-06-13 - 2018-06-15 2018.
  • Artus Suarez, Lluis; Nova, Ainara; Balcells, David; Tilset, Mats. Hydrogenation of amides to methanol and amines with an iron-based catalyst. A computational study.. International congres of quantum chemistry 2018-06-18 - 2018-06-23 2018.
  • Nova, Ainara; Balcells, David; Melteig, Elina. Nytt «designer-molekyl» kan spare industrien for store beløp. 2018.
  • Nova, Ainara. Computational Insight into the Conversion of CO2 to Methanol. NordCO2 Meeting 2018-05-15 - 2018.
  • Nova, Ainara. New Approaches to the Conversion of CO2 to Methanol. Computational Catalysis for Sustainable Chemistry 2018-06-15 - 2018.
  • Nova, Ainara. Towards the Conversion of Carbon Dioxide to Methanol: A Computational Study on the Iron-Catalyzed Hydrogenation of Amides. Organic Chemistry Winter Meeting 2018-01-11 - 2018-01-14 2018.
  • Coenegrachts, Lore; Ralte, Lalrempuia; Nova, Ainara; Le Roux, Erwan. Synthesis and Characterization of Transition Metal Complexes for the Copolymerization of Polar Monomer with CO2. Leiv K. Sydnes Symposium in Organic Chemistry 2018-05-15 - 2018.
  • Holmsen, Marte Sofie; Nova, Ainara; Ihlefeldt, Franziska Stefanie; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tilset, Mats. Small Molecule Activation at Au(III) Complexes. 32. Organisk Kjemiske Vintermøte 2017-01-12 - 2017-01-15 2017.
  • Artus Suarez, Lluis; Nova, Ainara; Balcells, David. Earth-abundant metal catalyst for amide hydrogenation to methanol.. EuCOMC 2017 2017-07-09 - 2017-07-13 2017.
  • Nova, Ainara. Mechanistic insight on the Au(III)-catalyzed functionalization of C-C multiple bonds. EuCOMC XXII 2017-07-09 - 2017-07-13 2017.
  • Nova, Ainara. AU(III) CATALYST DESIGN FOR ALKENE AND ALKYNE FUNCTIONALIZATION REACTIONS. 253rd ACS National Meeting 2017-04-02 - 2017-04-06 2017.
  • Holmsen, Marte Sofie; Ihlefeldt, Franziska Stefanie; Nova, Ainara; Wencke, Yannick; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tilset, Mats. Au(III) complexes and their reactivity towards alkenes and alkynes. 6th EuCheMS Chemistry Congress, John Dalton 250th Anniversary Symposium 2016-09-11 - 2016-09-15 2016.
  • Holmsen, Marte Sofie; Nova, Ainara; Wencke, Yannick; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tilset, Mats. NMR and organometallic chemistry – some examples from Au(III) chemistry. MR2016 2016-06-16 - 2016-06-17 2016.
  • Holmsen, Marte Sofie; Ihlefeldt, Franziska Stefanie; Nova, Ainara; Wencke, Yannick; Langseth, Eirin; Øien-Ødegaard, Sigurd; Tilset, Mats. Au(III) complexes and their reactivity towards alkenes and alkynes. 4th Nordic Organometallic Symposium 2016-03-30 - 2016-03-31 2016.
  • Nova, Ainara. Understanding the mechanism of precatalyst activation in Pd Cross-Coupling reactions. CTCC Seminar 2015-06-12 - 2015.
  • Nova, Ainara. How DFT can help in the understanding and design of Au(III) catalytic reactions. CTCC Annual Meeting 2015-04-22 - 2015-04-23 2015.
  • Langseth, Eirin; Tråseth, Eline Aa.; Nova, Ainara; Heyn, Richard H; Tilset, Mats. Reactivity of Cyclometalated Gold(III) Complexes Toward Alkenes. 2nd Nordic Meeting on Organometallic Chemistry 2014-03-26 - 2014-03-27 2014.
  • Heen, Espen Allum; Tilset, Mats; Nova, Ainara. Synthesis, Reactivity, and Computational Studies of Gold(III) (3,5-dimethylphenyl-2-pyridine)Au(III)R2 Complexes. 16th Nordic Symposium on Catalysis 2014-06-15 - 2014-06-17 2014.
  • Langseth, Eirin; Tråseth, Eline Aa.; Nova, Ainara; Heyn, Richard H; Tilset, Mats. Reactivity of Cyclometalated Gold(III) Complexes Toward Alkenes. 16th Nordic Symposium on Catalysis 2014-06-15 - 2014-06-17 2014.
  • Sundsdal, Anders Lia; Heen, Espen Allum; Tilset, Mats; Nova, Ainara; Øien, Sigurd. Synthesis, Reactivity and Computational Studies of Gold(III) Arylpyridine Complexes. 29. Organisk kjemisk vintermøte 2014-01-09 - 2014-01-12 2014.
  • Langseth, Eirin; Tråseth, Eline Aa.; Nova, Ainara; Heyn, Richard H.; Tilset, Mats. Reactivity of Cyclometalated Gold(III) Complexes Toward Alkenes. 29. Organisk kjemisk vintermøte 2014-01-09 - 2014-01-12 2014.
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