Publications

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

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

    Part of Abstract 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

    Part of Chemistry - A European Journal, p. 3520-3527, 2018.

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

    Superior adhesion of graphene nanoscrolls

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 12148-12157, 2018.

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

    Triplet state homoaromaticity: concept, computational validation and experimental relevance

    Part of Chemical Science, p. 3165-3176, 2018.

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

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

    Part of 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

    Part of Journal of Organic Chemistry, p. 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?

    Part of Journal of Organic Chemistry, p. 6327-6340, 2017.

  • Hertting, Nils; Ottosson, Henrik

    Case Uppsala, Campus Polacksbacken:  Location, surrounding, stakeholders

    Part of Dreams and Seeds. The Role of Campuses and Sustainable Urban Development, p. 51-55, 2017.

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

    Cyclopropyl Group: An Excited-State Aromaticity Indicator?

    Part of Chemistry - A European Journal, p. 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

    Part of Nature Communications, 2017.

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

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

    Part of Inorganics, 2017.

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

    Unraveling Excited-Singlet-State Aromaticity via Vibrational Analysis

    Part of Chem, p. 870 870-880 880, 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

    Part of Journal of Materials Chemistry A, p. 12369-12378, 2017.

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

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

    Part of 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

    Part of Chemistry - A European Journal, p. 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

    Part of Nature Chemistry, p. 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

    Part of RSC Advances, p. 36961-36970, 2016.

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

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

    Part of 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

    Part of Nature Communications, 2016.

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

    AROMATICITY A light-switched yin and yang pair

    Part of Nature Chemistry, p. 373-375, 2015.

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

    Cooperative Gold Nanoparticle Stabilization by Acetylenic Phosphaalkenes

    Part of Angewandte Chemie International Edition, p. 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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Chemistry - A European Journal, p. 8168-8176, 2015.

  • Papadakis, Raffaello; Ottosson, Henrik

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

    Part of Chemical Society Reviews, p. 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

    Part of Journal of the American Chemical Society, p. 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

    Part of Chemical Science, p. 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

    Part of Faraday discussions (Online), p. 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

    Part of Chemistry - A European Journal, p. 9304-9311, 2014.

  • Rosenberg, Martin; Dahlstrand, Christian; Kilsa, Kristine; Ottosson, Henrik et al.

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

    Part of Chemical Reviews, p. 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

    Part of Chemistry - A European Journal, p. 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

    Part of The Journal of Physical Chemistry C, p. 5637-5649, 2014.

  • Emanuelsson, Rikard; Denisova, Aleksandra; Baumgartner, Judith; Ottosson, Henrik et al.

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

    Part of Organometallics, p. 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

    Part of Abstract 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

    Part of Journal of nanoparticle research, p. 2811-, 2014.

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

    The first intramolecular silene Diels-Alder reactions

    Part of Chemical Communications, p. 2919-2921, 2014.

  • Zhu, Jun; Fogarty, Heather A.; Mollerstedt, Helene; Brink, Maria et al.

    Aromaticity Effects on the Profiles of the Lowest Triplet-State Potential-Energy Surfaces for Rotation about the CC Bonds of Olefins with Five-Membered Ring Substituents: An Example of the Impact of Baird's Rule

    Part of Chemistry - A European Journal, p. 10698-10707, 2013.

  • Zhu, Jun; Tong, Hui; Dahlstrand, Christian; Rosenberg, Martin et al.

    Baird's rule on excited state (anti)aromaticity as a tool for rationalization of photophysical and photochemical properties and processes

    Part of Abstract of Papers of the American Chemical Society, p. 755-ORGN-, 2013.

  • Göransson, Erik; Emanuelsson, Rikard; Jorner, Kjell; Markle, Todd F. et al.

    Charge transfer through cross-hyperconjugated versus cross-pi-conjugated bridges: an intervalence charge transfer study

    Part of Chemical Science, p. 3522-3532, 2013.

  • Alvi, Muhammad Rouf; Burkhard O., Jahn; Ottosson, Henrik

    Computational Investigation of Brook-Type Silabenzenes and Their Possible Formation through [1,3]-Si -> O Silyl Shifts

    Part of Organometallics, p. 16-28, 2013.

  • Löfås, Henrik; Emanuelsson, Rikard; Ahuja, Rajeev; Grigoriev, Anton et al.

    Conductance through Carbosilane Cage Compounds: A Computational Investigation

    Part of The Journal of Physical Chemistry C, p. 21692-21699, 2013.

  • Wallner, Andreas; Emanuelsson, Rikard; Baumgartner, Judith; Marschner, Christoph et al.

    Coupling of Disilane and Trisilane Segments Through Zero, One, Two, and Three Disilanyl Bridges in Cyclic and Bicyclic Saturated Carbosilanes

    Part of Organometallics, p. 396-405, 2013.

  • Emanuelsson, Rikard; Wallner, Andreas; Ng, Eugene A. M.; Smith, J. R. et al.

    Cross-hyperconjugation: An unexplored orbital interaction between pi-conjugated and saturated molecular segments

    Part of Angewandte Chemie International Edition, p. 983-987, 2013.

  • Rouf, Alvi M.; Tibbelin, Julius; Jahn, Burkhard O.; Anas, Saithalavi et al.

    Efficient and convenient acid catalyzed hypersilyl protection of alcohols and thiols by tris(trimethylsilyl)silyl-N,N-dimethylmethaneamide

    Part of Abstract of Papers of the American Chemical Society, p. 312-ORGN-, 2013.

  • Jafri, Hassan M.; Löfås, Henrik; Jonas, Fransson; Blom, Tobias et al.

    Identification of vibrational signatures from short chains of interlinked molecule-nanoparticle junctions obtained by inelastic electron tunnelling spectroscopy

    Part of Nanoscale, p. 4673-4677, 2013.

  • Löfås, Henrik; Orthaber, Andreas; Jahn, Burkhard O.; Rouf, Alvi M. et al.

    New Class of Molecular Conductance Switches Based on the [1,3]-Silyl Migration from Silanes to Silenes

    Part of The Journal of Physical Chemistry C, p. 10909-10918, 2013.

  • Jahn, Burkhard O.; Ottosson, Henrik; Galperin, Michael; Fransson, Jonas et al.

    Organic Single Molecular Structures for Light Induced Spin-Pump Devices

    Part of ACS Nano, p. 1064-1071, 2013.

  • Emanuelsson, Rikard; Tibbelin, Julius; Wallner, Andreas; Smith, Joshua R. et al.

    Strong neutral cross-hyperconjugation and linear hyperconjugation enabled by saturated Group 14 element E(E ' R-3)(2), (E ' R-3)E-E(E ' R-3), and E(E ' R-2)(2)E segments

    Part of Abstract of Papers of the American Chemical Society, p. 1246-INOR-, 2013.

  • Kivimaeki, A.; Norman, P.; Coreno, M.; de Simone, M. et al.

    Use of two-dimensional photoelectron spectroscopy in the decomposition of an inner-shell excitation spectrum broadened by super-Coster-Kronig decay

    Part of Physical Review A. Atomic, Molecular, and Optical Physics, p. 062502-, 2013.