Publikationer

  • Zeng, Weixuan; El Bakouri, Ouissam; Szczepanik, Dariusz W.; Bronstein, Hugo et al.

    Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: a rationale for singlet fission chromophore design

    Ingår i Chemical Science, s. 6159-6171, 2021.

    Open access
  • Escayola, Silvia; Tonnele, Claire; Matito, Eduard; Poater, Albert et al.

    Guidelines for Tuning the Excited State Huckel-Baird Hybrid Aromatic Character of Pro-Aromatic Quinoidal Compounds**

    Ingår i Angewandte Chemie International Edition, s. 10255-10265, 2021.

  • Ayub, Rabia; El Bakouri, Ouissam; Smith, Joshua R.; Jorner, Kjell et al.

    Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications

    Ingår i Journal of Physical Chemistry A, s. 570-584, 2021.

    Open access
  • Jorner, Kjell; Rabten, Wangchuk; Slanina, Tomáš; Proos Vedin, Nathalie et al.

    Degradation of Pharmaceuticals through Sequential Photon Absorption and Photoionization in Amiloride Derivatives

    Ingår i Cell Reports Physical Science, 2020.

    Open access
  • Karas, Lucas J.; Wu, Chia-Hua; Ottosson, Henrik; Wu, Judy, I

    Electron-driven proton transfer relieves excited-state antiaromaticity in photoexcited DNA base pairs

    Ingår i Chemical Science, s. 10071-10077, 2020.

  • Slanina, Tomáš; Ayub, Rabia; Toldo, Josene; Sundell, Johan et al.

    Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes

    Ingår i Journal of the American Chemical Society, s. 10942-10954, 2020.

    Open access
  • Jafri, Syed Hassan Mujtaba; Hayat, Aqib; Wallner, Andreas; Sher, Omer et al.

    Nanomolecular electronic devices based on AuNP molecule nanoelectrodes using molecular place-exchange process

    Ingår i Nanotechnology, 2020.

  • El Bakouri, Ouissam; Smith, Joshua R.; Ottosson, Henrik

    Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground-State and Excited-State Aromaticity Rules

    Ingår i Journal of the American Chemical Society, s. 5602-5617, 2020.

    Open access
  • Mayer, Peter J.; El Bakouri, Ouissam; Holczbauer, Tamas; Samu, Gergely F. et al.

    Structure–Property Relationships in Unsymmetric Bis(antiaromatics): Who Wins the Battle between Pentalene and Benzocyclobutadiene?

    Ingår i Journal of Organic Chemistry, s. 5158-5172, 2020.

    Open access
  • Pati, Avik K.; El Bakouri, Ouissam; Jockusch, Steffen; Zhou, Zhou et al.

    Tuning the Baird aromatic triplet-state energy of cyclooctatetraene to maximize the self-healing mechanism in organic fluorophores

    Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 24305-24315, 2020.

    Open access
  • Wu, Chia-Hua; Karas, Lucas José; Ottosson, Henrik; Wu, Judy I-Chia

    Excited-state proton transfer relieves antiaromaticity in molecules

    Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 20303-20308, 2019.

  • Yadav, Sangeeta; El Bakouri, Ouissam; Jorner, Kjell; Tong, Hui et al.

    Exploiting the Aromatic Chameleon Character of Fulvenes for Computational Design of Baird-Aromatic Triplet Ground State Compounds

    Ingår i Chemistry - An Asian Journal, s. 1870-1878, 2019.

  • Toldo, Josene; El Bakouri, Ouissam; Sola, Miquel; Norrby, Per-Ola et al.

    Is Excited-State Aromaticity a Driving Force for Planarization of Dibenzannelated 8 Π-Electron Heterocycles?

    Ingår i CHEMPLUSCHEM, s. 712-721, 2019.

  • Dreos, Ambra; Jorner, Kjell; Borjesson, Karl; Wang, Zhihang et al.

    Norbornadiene-quadricyclane photochromic systems for solar energy storage applications and testing in devices

    Ingår i Abstracts of Papers of the American Chemical Society, 2018.

  • Poon, Jia-fei; Yan, Jiajie; Jorner, Kjell; Ottosson, Henrik et al.

    Substituent Effects in Chain-Breaking Aryltellurophenol Antioxidants

    Ingår i Chemistry - A European Journal, s. 3520-3527, 2018.

  • Li, Hu; Papadakis, Raffaello; Jafri, Syed Hassan Mujtaba; Thersleff, Thomas et al.

    Superior adhesion of graphene nanoscrolls

    Ingår i Communications Physics, 2018.

    Open access
  • DeFrancisco, Justin R.; Lopez-Espejo, Guzman; Zafra, Jose Luis; Yadav, Sangeeta et al.

    Torsional Bias as a Strategy To Tune Single-triplet Gaps in Organic Diradicals

    Ingår i The Journal of Physical Chemistry C, s. 12148-12157, 2018.

  • Jorner, Kjell; Jahn, Burkhard O.; Bultinck, Patrick; Ottosson, Henrik

    Triplet state homoaromaticity: concept, computational validation and experimental relevance

    Ingår i Chemical Science, s. 3165-3176, 2018.

    Open access
  • Denisova V, Aleksandra; Tibbelin, Julius; Emanuelsson, Rikard; Ottosson, Henrik

    A Computational Investigation of the Substituent Effects on Geometric, Electronic, and Optical Properties of Siloles and 1,4-Disilacyclohexa-2,5-dienes

    Ingår i Molecules, 2017.

    Open access
  • Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik et al.

    Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds

    Ingår i Journal of Organic Chemistry, s. 13440-13448, 2017.

  • Ayub, Rabia; El Bakouri, Ouissam; Jorner, Kjell; Sola, Miguel et al.

    Can Baird's and Clar's Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4n pi- and (4n+2)pi-Rings?

    Ingår i Journal of Organic Chemistry, s. 6327-6340, 2017.

  • Hertting, Nils; Ottosson, Henrik

    Case Uppsala, Campus Polacksbacken:  Location, surrounding, stakeholders

    Ingår i Dreams and Seeds. The Role of Campuses and Sustainable Urban Development, s. 51-55, 2017.

  • Ayub, Rabia; Papadakis, Raffaello; Jorner, Kjell; Zietz, Burkhard et al.

    Cyclopropyl Group: An Excited-State Aromaticity Indicator?

    Ingår i Chemistry - A European Journal, s. 13684-13695, 2017.

  • Ueda, Michihisa; Jorner, Kjell; Sung, Young Mo; Mori, Tadashi et al.

    Energetics of Baird aromaticity supported by inversion of photoexcited chiral [4n]annulene derivatives

    Ingår i Nature Communications, 2017.

  • Ayub, Rabia; Jorner, Kjell; Ottosson, Henrik

    The Silacyclobutene Ring: An Indicator of Triplet State Baird-Aromaticity

    Ingår i Inorganics, 2017.

    Open access
  • Oh, Juwon; Sung, Young Mo; Mori, Hirotaka; Park, Seongchul et al.

    Unraveling Excited-Singlet-State Aromaticity via Vibrational Analysis

    Ingår i Chem, s. 870-880, 2017.

  • Jorner, Kjell; Dreos, Ambra; Emanuelsson, Rikard; El Bakouri, Ouissam et al.

    Unraveling factors leading to efficient norbornadiene-quadricyclane molecular solar-thermal energy storage systems

    Ingår i Journal of Materials Chemistry A, s. 12369-12378, 2017.

  • Lundstedt, Anna; Papadakis, Raffaello; Li, Hu; Han, Yuanyuan et al.

    White-light photoassisted covalent functionalization of graphene using 2-propanol

    Ingår i Small Methods, 2017.

  • Jorner, Kjell; Feixas, Ferran; Ayub, Rabia; Lindh, Roland et al.

    Analysis of a Compound Class with Triplet States Stabilized by Potentially Baird Aromatic [10]Annulenyl Dicationic Rings

    Ingår i Chemistry - A European Journal, s. 2793-2800, 2016.

  • Rudebusch, Gabriel E.; Zafra, Jose L.; Jorner, Kjell; Fukuda, Kotaro et al.

    Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals

    Ingår i Nature Chemistry, s. 753-759, 2016.

  • Denisova, Aleksandra; Emanuelsson, Rikard; Ottosson, Henrik

    Expanding the (Cross-)Hyperconjugation of 1,4-Disilacyclohexa-2,5-dienes to Larger Monomers and Oligomers: A Computational Investigation

    Ingår i RSC Advances, s. 36961-36970, 2016.

  • Lüder, Johann; Puglia, Carla; Ottosson, Henrik; Eriksson, Olle et al.

    Many-body effects and excitonic features in 2D biphenylene carbon

    Ingår i Journal of Chemical Physics, 2016.

  • Papadakis, Raffaello; Li, Hu; Bergman, Joakim; Lundstedt, Anna et al.

    Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene

    Ingår i Nature Communications, 2016.

    Open access
  • Ottosson, Henrik; Borbas, K. Eszter

    AROMATICITY A light-switched yin and yang pair

    Ingår i Nature Chemistry, s. 373-375, 2015.

  • Orthaber, Andreas; Löfås, Henrik; Öberg, Elisabet; Grigoriev, Anton et al.

    Cooperative Gold Nanoparticle Stabilization by Acetylenic Phosphaalkenes

    Ingår i Angewandte Chemie International Edition, s. 10634-10638, 2015.

  • Jafri, S. Hassan M.; Löfås, Henrik; Blom, Tobias; Wallner, Andreas et al.

    Nano-fabrication of molecular electronic junctions by targeted modification of metal-molecule bonds

    Ingår i Scientific Reports, 2015.

    Open access
  • Dahlstrand, Christian; Jahn, Burkhard O.; Grigoriev, Anton; Villaume, Sebastien et al.

    Polyfulvenes: Polymers with "Handles" That Enable Extensive Electronic Structure Tuning

    Ingår i The Journal of Physical Chemistry C, s. 25726-25737, 2015.

  • Finke, Aaron D.; Jahn, Burkhard O.; Saithalavi, Anas; Dahlstrand, Christian et al.

    The 6,6-Dicyanopentafulvene Core: A Template for the Design of Electron-Acceptor Compounds

    Ingår i Chemistry - A European Journal, s. 8168-8176, 2015.

  • Papadakis, Raffaello; Ottosson, Henrik

    The excited state antiaromatic benzene ring: a molecular Mr Hyde?

    Ingår i Chemical Society Reviews, s. 6472-6493, 2015.

  • Mohamed, Rana K.; Mondal, Sayantan; Jorner, Kjell; Delgado, Thais Faria et al.

    The Missing C-1-C-5 Cycloaromatization Reaction: Triplet State Antiaromaticity Relief and Self-Terminating Photorelease of Formaldehyde for Synthesis of Fulvenes from Enynes

    Ingår i Journal of the American Chemical Society, s. 15441-15450, 2015.

  • Tibbelin, Julius; Wallner, Andreas; Emanuelsson, Rikard; Heijkenskjöld, Filip et al.

    1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation

    Ingår i Chemical Science, s. 360-371, 2014.

    Open access
  • Löfås, Henrik; Jahn, B. O.; Wärnå, John; Emanuelsson, Rikard et al.

    A computational study of potential molecular switches that exploit Baird's rule on excited-state aromaticity and antiaromaticity

    Ingår i Faraday discussions (Online), s. 105-124, 2014.

  • Emanuelsson, Rikard; Löfås, Henrik; Wallner, Andreas; Nauroozi, Djawed et al.

    Configuration- and Conformation-Dependent Electronic Structure Variations in 1,4-Disubstituted Cyclohexanes Enabled by a Carbon-to-Silicon Exchange

    Ingår i Chemistry - A European Journal, s. 9304-9311, 2014.

  • Rosenberg, Martin; Dahlstrand, Christian; Kilsa, Kristine; Ottosson, Henrik

    Excited State Aromaticity and Antiaromaticity: Opportunities for Photophysical and Photochemical Rationalizations

    Ingår i Chemical Reviews, s. 5379-5425, 2014.

  • Jorner, Kjell; Emanuelsson, Rikard; Dahlstrand, Christian; Tong, Hui et al.

    Impact of Ground- and Excited-State Aromaticity on Cyclopentadiene and Silole Excitation Energies and Excited-State Polarities

    Ingår i Chemistry - A European Journal, s. 9295-9303, 2014.

  • Emanuelsson, Rikard; Löfås, Henrik; Zhu, Jun; Ahuja, Rajeev et al.

    In Search of Flexible Molecular Wires with Near Conformer-Independent Conjugation and Conductance: A Computational Study

    Ingår i The Journal of Physical Chemistry C, s. 5637-5649, 2014.

  • Emanuelsson, Rikard; Denisova, Aleksandra; Baumgartner, Judith; Ottosson, Henrik

    Optimization of the Cyclic Cross-Hyperconjugation in 1,4-Ditetrelcyclohexa-2,5-dienes

    Ingår i Organometallics, s. 2997-3004, 2014.

  • Jorner, Kjell; Emanuelsson, Rikard; Ayub, Rabia; Denisova, Aleksandra et al.

    Siloles and cyclopentadienes as "aromatic chameleons" influenced by aromaticity in both the ground state and lowest electronically excited states

    Ingår i Abstracts of Papers of the American Chemical Society, 2014.

  • Jafri, Syed Hassan Mujtaba; Blom, Tobias; Wallner, Andreas; Ottosson, Henrik et al.

    Stability optimisation of molecular electronic devices based on nanoelectrode-nanoparticle bridge platform in air and different storage liquids

    Ingår i Journal of nanoparticle research, s. 2811-, 2014.

  • Czyzewski, Michal; Sellars, Jonathan D.; Guliashvili, Tamaz; Tibbelin, Julius et al.

    The first intramolecular silene Diels-Alder reactions

    Ingår i Chemical Communications, s. 2919-2921, 2014.