Publikationer

  • 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 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

    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 et al.

    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 et al.

    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.

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

    Unraveling Excited-Singlet-State Aromaticity via Vibrational Analysis

    Ingår i Chem, s. 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

    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 et al.

    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 et al.

    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 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

    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.

  • 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

    Ingår i Chemistry - A European Journal, s. 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

    Ingår i Abstract of Papers of the American Chemical Society, s. 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

    Ingår i Chemical Science, s. 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

    Ingår i Organometallics, s. 16-28, 2013.

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

    Conductance through Carbosilane Cage Compounds: A Computational Investigation

    Ingår i The Journal of Physical Chemistry C, s. 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

    Ingår i Organometallics, s. 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

    Ingår i Angewandte Chemie International Edition, s. 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

    Ingår i Abstract of Papers of the American Chemical Society, s. 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

    Ingår i Nanoscale, s. 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

    Ingår i The Journal of Physical Chemistry C, s. 10909-10918, 2013.

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

    Organic Single Molecular Structures for Light Induced Spin-Pump Devices

    Ingår i ACS Nano, s. 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

    Ingår i Abstract of Papers of the American Chemical Society, s. 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

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, s. 062502-, 2013.