Design of singlet fission chromophores with cyclic (alkyl)(amino) carbene building blocks

First Principle Prediction of Intramolecular Singlet Fission and Triplet Triplet Annihilation Rates

(2019) Hung-Hsuan Lin et al.   Journal of Chemical Theory and Computation

Efficient implementations of analytic energy gradient for mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT)

(2019) Seunghoon Lee et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Modeling of Singlet Fission

(2018) David Casanova   CHEMICAL REVIEWS

Molecular design for efficient singlet fission

(2018) Soichi Ito et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS

Identifying (BN)2-pyrenes as a New Class of Singlet Fission Chromophores: Significance of Azaborine Substitution

(2018) Tao Zeng et al.   Journal of Physical Chemistry Letters

Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes

(2018) Max M. Hansmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carbene derived diradicaloids – building blocks for singlet fission?

(2018) Julian Messelberger et al.   Chemical Science

Theoretical Studies of Singlet Fission: Searching for Materials and Exploring Mechanisms

(2018) Achini Japahuge et al.   ChemPlusChem

Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrix

(2018) Seunghoon Lee et al.   JOURNAL OF CHEMICAL PHYSICS

Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy

(2018) Martin Rahm et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Design Strategies for Efficient Intramolecular Singlet Exciton Fission

(2018) K. C. Krishnapriya et al.   ACS Energy Letters

1,3-Diphenylisobenzofuran: a Model Chromophore for Singlet Fission

(2017) Justin C. Johnson et al.   Topics in Current Chemistry

Singlet Fission: Progress and Prospects in Solar Cells

(2016) Jianlong Xia et al.   ADVANCED MATERIALS

Solution-Phase Singlet Fission in a Structurally Well-Defined Norbornyl-Bridged Tetracene Dimer

(2016) Jasper D. Cook et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Through-Linker Intramolecular Singlet Fission: General Mechanism and Designing Small Chromophores

(2016) Tao Zeng   Journal of Physical Chemistry Letters

Design of Small Intramolecular Singlet Fission Chromophores: An Azaborine Candidate and General Small Size Effects

(2016) Tao Zeng et al.   Journal of Physical Chemistry Letters

Exciton Correlations in Intramolecular Singlet Fission

(2016) Samuel N. Sanders et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enabling singlet fission by controlling intramolecular charge transfer in π-stacked covalent terrylenediimide dimers

(2016) Eric A. Margulies et al.   Nature Chemistry

A Direct Mechanism of Ultrafast Intramolecular Singlet Fission in Pentacene Dimers

(2016) Eric G. Fuemmeler et al.   ACS Central Science

Sub-Picosecond Singlet Exciton Fission in Cyano-Substituted Diaryltetracenes

(2015) Eric A. Margulies et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Small Organic Molecules for Efficient Singlet Fission: Role of Silicon Substitution

(2015) Kalishankar Bhattacharyya et al.   Journal of Physical Chemistry C

Symmetry-Directed Control of Electronic Coupling for Singlet Fission in Covalent Bis–Acene Dimers

(2015) Niels H. Damrauer et al.   Journal of Physical Chemistry Letters

The Nature of Singlet Exciton Fission in Carotenoid Aggregates

(2015) Andrew J. Musser et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantitative Intramolecular Singlet Fission in Bipentacenes

(2015) Samuel N. Sanders et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Exciton Delocalization Drives Rapid Singlet Fission in Nanoparticles of Acene Derivatives

(2015) Ryan D. Pensack et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cyclic (Alkyl)(Amino)Carbenes (CAACs): Stable Carbenes on the Rise

(2014) Michèle Soleilhavoup et al.   ACCOUNTS OF CHEMICAL RESEARCH

C4Cumulene and the Corresponding Air-Stable Radical Cation and Dication

(2014) Yan Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Impact of Intermolecular Distance on Singlet Fission in a Series of TIPS Pentacene Compounds

(2014) Yishi Wu et al.   Journal of Physical Chemistry Letters

Captodatively Stabilized Biradicaloids as Chromophores for Singlet Fission

(2014) Jin Wen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Singlet Fission in Thin Films of 1,3-Diphenylisobenzofuran

(2014) Joel N. Schrauben et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Seeking Small Molecules for Singlet Fission: A Heteroatom Substitution Strategy

(2014) Tao Zeng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Low-Lying Electronic States of Pentacene and Their Roles in Singlet Fission

(2014) Tao Zeng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A transferable model for singlet-fission kinetics

(2014) Shane R. Yost et al.   Nature Chemistry

Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]

(2014) Liqun Jin et al.   Organic Chemistry Frontiers

Recent Advances in Singlet Fission

(2013) Millicent B. Smith et al.   Annual Review of Physical Chemistry

Electronic Structure Study of Singlet Fission in Tetracene Derivatives

(2013) David Casanova   Journal of Chemical Theory and Computation

Fundamental of Diradical-Character-Based Molecular Design for Singlet Fission

(2013) Takuya Minami et al.   Journal of Physical Chemistry Letters

Different Rates of Singlet Fission in Monoclinic versus Orthorhombic Crystal Forms of Diphenylhexatriene

(2013) Robert J. Dillon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Singlet Exciton Fission in Polycrystalline Thin Films of a Slip-Stacked Perylenediimide

(2013) Samuel W. Eaton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Singlet exciton fission in solution

(2013) Brian J. Walker et al.   Nature Chemistry

External Quantum Efficiency Above 100% in a Singlet-Exciton-Fission-Based Organic Photovoltaic Cell

(2013) D. N. Congreve et al.   SCIENCE

Search for a Small Chromophore with Efficient Singlet Fission: Biradicaloid Heterocycles

(2012) Akin Akdag et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The energy barrier in singlet fission can be overcome through coherent coupling and entropic gain

(2012) Wai-Lun Chan et al.   Nature Chemistry

On the Nature of CH⋅⋅⋅FC Interactions in Hindered CF3C(sp3) Bond Rotations

(2011) G. K. Surya Prakash et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors

(2011) Hua Geng et al.   JOURNAL OF CHEMICAL PHYSICS

Diradical Character View of Singlet Fission

(2011) Takuya Minami et al.   Journal of Physical Chemistry Letters

Synthesis and Characterization of a Neutral Tricoordinate Organoboron Isoelectronic with Amines

(2011) R. Kinjo et al.   SCIENCE

Observing the Multiexciton State in Singlet Fission and Ensuing Ultrafast Multielectron Transfer

(2011) W.-L. Chan et al.   SCIENCE

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Isolation of a Carbene-Stabilized Phosphorus Mononitride and Its Radical Cation (PN+.)

(2010) Rei Kinjo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Singlet Fission

(2010) Millicent B. Smith et al.   CHEMICAL REVIEWS

High-Yield Singlet Fission in a Zeaxanthin Aggregate Observed by Picosecond Resonance Raman Spectroscopy

(2010) Chen Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Crystalline Phosphinyl Radical Cation

(2010) Olivier Back et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Isolation of crystalline carbene-stabilized P2-radical cations and P2-dications

(2010) Olivier Back et al.   Nature Chemistry

Toward Designed Singlet Fission: Electronic States and Photophysics of 1,3-Diphenylisobenzofuran†

(2009) Andrew F. Schwerin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

σ- andπ-electron contributions to the substituent effect: natural population analysis

(2009) Wojciech P. Ozimiński et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY