Publications within Ottosson Group

Excited-state aromaticity and antiaromaticity special issue

Ottosson, Henrik; Durbeej, Bo; Solà, Miquel

Part of Journal of Physical Organic Chemistry, 2023.

DOI for Excited-state aromaticity and antiaromaticity special issue

Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?

El Bakouri, Ouissam; Szczepanik, Dariusz W.; Jorner, Kjell; Ayub, Rabia et al.

Part of Journal of the American Chemical Society, p. 8560-8575, 2022.

DOI for Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D? Download full text (pdf) of Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?

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

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

Part of Chemical Science, p. 6159-6171, 2021.

DOI for Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: a rationale for singlet fission chromophore design Download full text (pdf) of Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: a rationale for singlet fission chromophore design

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

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

Part of Angewandte Chemie International Edition, p. 10255-10265, 2021.

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

Inside Cover: An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence (Angew. Chem. Int. Ed. 40/2021)

Shoji, Yoshiaki; Ikabata, Yasuhiro; Ryzhii, Ivan; Ayub, Rabia et al.

Part of Angewandte Chemie International Edition, p. 21598-21598, 2021.

DOI for Inside Cover: An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence (Angew. Chem. Int. Ed. 40/2021)

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

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

Part of Journal of Physical Chemistry A, p. 570-584, 2021.

DOI for Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications Download full text (pdf) of Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications

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

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

Part of Cell Reports Physical Science, 2020.

DOI for Degradation of Pharmaceuticals through Sequential Photon Absorption and Photoionization in Amiloride Derivatives Download full text (pdf) of Degradation of Pharmaceuticals through Sequential Photon Absorption and Photoionization in Amiloride Derivatives

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

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

Part of Chemical Science, p. 10071-10077, 2020.

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

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

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

Part of Journal of the American Chemical Society, p. 10942-10954, 2020.

DOI for Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes Download full text (pdf) of Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes

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

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

Part of Nanotechnology, 2020.

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

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

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

Part of Journal of the American Chemical Society, p. 5602-5617, 2020.

DOI for Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground-State and Excited-State Aromaticity Rules Download full text (pdf) of Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground-State and Excited-State Aromaticity Rules

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

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

Part of Journal of Organic Chemistry, p. 5158-5172, 2020.

DOI for Structure–Property Relationships in Unsymmetric Bis(antiaromatics): Who Wins the Battle between Pentalene and Benzocyclobutadiene? Download full text (pdf) of Structure–Property Relationships in Unsymmetric Bis(antiaromatics): Who Wins the Battle between Pentalene and Benzocyclobutadiene?

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

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

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 24305-24315, 2020.

DOI for Tuning the Baird aromatic triplet-state energy of cyclooctatetraene to maximize the self-healing mechanism in organic fluorophores Download full text (pdf) of Tuning the Baird aromatic triplet-state energy of cyclooctatetraene to maximize the self-healing mechanism in organic fluorophores

Excited-state proton transfer relieves antiaromaticity in molecules

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

Part of Proceedings of the National Academy of Sciences of the United States of America, p. 20303-20308, 2019.

DOI for Excited-state proton transfer relieves antiaromaticity in molecules

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

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

Part of Chemistry - An Asian Journal, p. 1870-1878, 2019.

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

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

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

Part of ChemPlusChem, p. 712-721, 2019.

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

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

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

Part of Abstracts of Papers of the American Chemical Society, 2018.

Substituent Effects in Chain-Breaking Aryltellurophenol Antioxidants

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

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

DOI for Substituent Effects in Chain-Breaking Aryltellurophenol Antioxidants

Superior adhesion of graphene nanoscrolls

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

Part of Communications Physics, 2018.

DOI for Superior adhesion of graphene nanoscrolls Download full text (pdf) of Superior adhesion of graphene nanoscrolls

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

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

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

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

Triplet state homoaromaticity: concept, computational validation and experimental relevance

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

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

DOI for Triplet state homoaromaticity: concept, computational validation and experimental relevance Download full text (pdf) of Triplet state homoaromaticity: concept, computational validation and experimental relevance

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

Denisova V, Aleksandra; Tibbelin, Julius; Emanuelsson, Rikard; Ottosson, Henrik

Part of Molecules, 2017.

DOI for A Computational Investigation of the Substituent Effects on Geometric, Electronic, and Optical Properties of Siloles and 1,4-Disilacyclohexa-2,5-dienes Download full text (pdf) of A Computational Investigation of the Substituent Effects on Geometric, Electronic, and Optical Properties of Siloles and 1,4-Disilacyclohexa-2,5-dienes

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

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

Part of Journal of Organic Chemistry, p. 13440-13448, 2017.

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

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?

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

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

DOI for 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?

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

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

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

Case Uppsala, Campus Polacksbacken:  Location, surrounding, stakeholders

Hertting, Nils; Ottosson, Henrik

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

Cyclopropyl Group: An Excited-State Aromaticity Indicator?

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

Part of Chemistry - A European Journal, p. 13684-13695, 2017.

DOI for Cyclopropyl Group: An Excited-State Aromaticity Indicator?

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

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

Part of Nature Communications, 2017.

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

Superadhesion of Graphene Nanoscrolls

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

2017.

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

Ayub, Rabia; Jorner, Kjell; Ottosson, Henrik

Part of Inorganics, 2017.

DOI for The Silacyclobutene Ring: An Indicator of Triplet State Baird-Aromaticity Download full text (pdf) of The Silacyclobutene Ring: An Indicator of Triplet State Baird-Aromaticity

Unraveling Excited-Singlet-State Aromaticity via Vibrational Analysis

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

Part of Chem, p. 870-880, 2017.

DOI for Unraveling Excited-Singlet-State Aromaticity via Vibrational Analysis

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

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

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

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

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

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

Part of Small Methods, 2017.

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

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

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

Part of Chemistry - A European Journal, p. 2793-2800, 2016.

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

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

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

Part of Nature Chemistry, p. 753-759, 2016.

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

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

Denisova, Aleksandra; Emanuelsson, Rikard; Ottosson, Henrik

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

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

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

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

Part of Journal of Chemical Physics, 2016.

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

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

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

Part of Nature Communications, 2016.

DOI for Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene Download full text (pdf) of Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene

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

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

Part of Nature Communications, p. 12962-, 2016.

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

A 10-nm sized few molecule portable platform to assess molecular electronics properties

Leifer, Klaus; Jafri, Hassan; Hayat, Aqib; Orthaber, Andreas et al.

2015.

AROMATICITY A light-switched yin and yang pair

Ottosson, Henrik; Borbas, K. Eszter

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

DOI for AROMATICITY A light-switched yin and yang pair

Cooperative Gold Nanoparticle Stabilization by Acetylenic Phosphaalkenes

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

Part of Angewandte Chemie International Edition, p. 10634-10638, 2015.

DOI for Cooperative Gold Nanoparticle Stabilization by Acetylenic Phosphaalkenes

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

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

Part of Scientific Reports, 2015.

DOI for Nano-fabrication of molecular electronic junctions by targeted modification of metal-molecule bonds Download full text (pdf) of Nano-fabrication of molecular electronic junctions by targeted modification of metal-molecule bonds

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

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

Part of The Journal of Physical Chemistry C, p. 25726-25737, 2015.

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

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

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

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

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

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

Papadakis, Raffaello; Ottosson, Henrik

Part of Chemical Society Reviews, p. 6472-6493, 2015.

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

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

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

Part of Journal of the American Chemical Society, p. 15441-15450, 2015.

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

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

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

Part of Chemical Science, p. 360-371, 2014.

DOI for 1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation Download full text (pdf) of 1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation

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

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

Part of Faraday discussions, p. 105-124, 2014.

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

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

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

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

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