Publikationer inom Ottosson Group

Excited-state aromaticity and antiaromaticity special issue

Ottosson, Henrik; Durbeej, Bo; Solà, Miquel

Ingår i Journal of Physical Organic Chemistry, 2023.

DOI för 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.

Ingår i Journal of the American Chemical Society, s. 8560-8575, 2022.

DOI för Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D? Ladda ner fulltext (pdf) av 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.

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

DOI för Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: a rationale for singlet fission chromophore design Ladda ner fulltext (pdf) av 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.

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

DOI för 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.

Ingår i Angewandte Chemie International Edition, s. 21598-21598, 2021.

DOI för 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.

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

DOI för Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications Ladda ner fulltext (pdf) av 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.

Ingår i Cell Reports Physical Science, 2020.

DOI för Degradation of Pharmaceuticals through Sequential Photon Absorption and Photoionization in Amiloride Derivatives Ladda ner fulltext (pdf) av 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

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

DOI för 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.

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

DOI för Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes Ladda ner fulltext (pdf) av 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.

Ingår i Nanotechnology, 2020.

DOI för 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

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

DOI för Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground-State and Excited-State Aromaticity Rules Ladda ner fulltext (pdf) av 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.

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

DOI för Structure–Property Relationships in Unsymmetric Bis(antiaromatics): Who Wins the Battle between Pentalene and Benzocyclobutadiene? Ladda ner fulltext (pdf) av 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.

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

DOI för Tuning the Baird aromatic triplet-state energy of cyclooctatetraene to maximize the self-healing mechanism in organic fluorophores Ladda ner fulltext (pdf) av 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

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

DOI för 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.

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

DOI för 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.

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

DOI för 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.

Ingår i 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.

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

DOI för Substituent Effects in Chain-Breaking Aryltellurophenol Antioxidants

Superior adhesion of graphene nanoscrolls

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

Ingår i Communications Physics, 2018.

DOI för Superior adhesion of graphene nanoscrolls Ladda ner fulltext (pdf) av 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.

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

DOI för 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

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

DOI för Triplet state homoaromaticity: concept, computational validation and experimental relevance Ladda ner fulltext (pdf) av 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

Ingår i Molecules, 2017.

DOI för A Computational Investigation of the Substituent Effects on Geometric, Electronic, and Optical Properties of Siloles and 1,4-Disilacyclohexa-2,5-dienes Ladda ner fulltext (pdf) av 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.

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

DOI för 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.

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

DOI för 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.

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

Case Uppsala, Campus Polacksbacken:  Location, surrounding, stakeholders

Hertting, Nils; Ottosson, Henrik

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

Cyclopropyl Group: An Excited-State Aromaticity Indicator?

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

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

DOI för 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.

Ingår i Nature Communications, 2017.

DOI för 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

Ingår i Inorganics, 2017.

DOI för The Silacyclobutene Ring: An Indicator of Triplet State Baird-Aromaticity Ladda ner fulltext (pdf) av 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.

Ingår i Chem, s. 870-880, 2017.

DOI för 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.

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

DOI för 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.

Ingår i Small Methods, 2017.

DOI för 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.

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

DOI för 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.

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

DOI för 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

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

DOI för 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.

Ingår i Journal of Chemical Physics, 2016.

DOI för 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.

Ingår i Nature Communications, 2016.

DOI för Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene Ladda ner fulltext (pdf) av 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.

Ingår i Nature Communications, s. 12962-, 2016.

DOI för 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

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

DOI för 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.

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

DOI för 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.

Ingår i Scientific Reports, 2015.

DOI för Nano-fabrication of molecular electronic junctions by targeted modification of metal-molecule bonds Ladda ner fulltext (pdf) av 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.

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

DOI för 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.

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

DOI för 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

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

DOI för 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.

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

DOI för 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.

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

DOI för 1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation Ladda ner fulltext (pdf) av 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.

Ingår i Faraday discussions, s. 105-124, 2014.

DOI för 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.

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

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