@article{MTMT:34571192,
	title = {An Exploration of Substituent Effects on the Photophysical Properties of Monobenzopentalenes},
	url = {https://m2.mtmt.hu/api/publication/34571192},
	author = {Gazdag, Tamás and Meiszter, Enikő and Mayer, Péter József and Holczbauer, Tamás and Ottosson, Henrik and Maurer, Andrew B. and Abrahamsson, Maria and London, Gábor},
	doi = {10.1002/cphc.202300737},
	journal-iso = {CHEMPHYSCHEM},
	journal = {CHEMPHYSCHEM: A EUROPEAN JOURNAL OF CHEMICAL PHYSICS AND PHYSICAL CHEMISTRY},
	volume = {25},
	unique-id = {34571192},
	issn = {1439-4235},
	abstract = {Monobenzopentalenes have received moderate attention compared to dibenzopentalenes, yet their accessibility as stable, non‐symmetric structures with diverse substituents could be interesting for materials applications, including molecular photonics. Recently, monobenzopentalene was considered computationally as a potential chromophore for singlet fission (SF) photovoltaics. To advance this compound class towards photonics applications, the excited state energetics must be characterized, computationally and experimentally. In this report we synthesized a series of stable substituted monobenzopentalenes and provided the first experimental exploration of their photophysical properties. Structural and opto‐electronic characterization revealed that all derivatives showed 1H NMR shifts in the olefinic region, bond length alternation in the pentalene unit, low‐intensity absorptions reflecting the ground‐state antiaromatic character and in turn the symmetry forbidden HOMO‐to‐LUMO transitions of ~2 eV and redox amphotericity. This was also supported by computed aromaticity indices (NICS, ACID, HOMA). Accordingly, substituents did not affect the fulfilment of the energetic criterion of SF, as the computed excited‐state energy levels satisfied the required E(S1)/E(T1) > 2 relationship. Further spectroscopic measurements revealed a concentration dependent quenching of the excited state and population of the S2 state on the nanosecond timescale, providing initial evidence for unusual photophysics and an alternative entry point for singlet fission with monobenzopentalenes.},
	keywords = {substituent effect; substituent effects; Chromophores; excited states; EXCITED-STATES; Ground state; Photophysics; PHOTOPHYSICAL PROPERTIES; Excited state; ANTIAROMATICITY; bond length; pentalenes; singlet fission; pentalene; Material application; Singlet fissions; Molecular photonics; Symmetric structures},
	year = {2024},
	eissn = {1439-7641}
}

@article{MTMT:35018599,
	title = {Identification and quantification of local antiaromaticity in polycyclic aromatic hydrocarbons (PAHs) based on the magnetic criterion},
	url = {https://m2.mtmt.hu/api/publication/35018599},
	author = {Kleinpeter, Erich and Koch, Andreas},
	doi = {10.1039/d4ob00114a},
	journal-iso = {ORG BIOMOL CHEM},
	journal = {ORGANIC & BIOMOLECULAR CHEMISTRY},
	volume = {22},
	unique-id = {35018599},
	issn = {1477-0520},
	year = {2024},
	eissn = {1477-0539},
	pages = {3035-3044},
	orcid-numbers = {Koch, Andreas/0009-0002-4375-6767}
}

@article{MTMT:35018598,
	title = {Radical Allylation of Aldehydes with Allenes by Photoredox Cobalt and Chromium Dual Catalysis},
	url = {https://m2.mtmt.hu/api/publication/35018598},
	author = {Li, Haoyu and Wang, Xin and Cao, Renxu and Qi, Xuehan and Hao, Erjun and Shi, Lei},
	doi = {10.1055/s-0043-1774866},
	journal-iso = {SYNTHESIS-STUTTGART},
	journal = {SYNTHESIS-STUTTGART},
	unique-id = {35018598},
	issn = {0039-7881},
	keywords = {ALLYLATION; Cobalt; Photocatalysis; ALLENES; homoallylic alcohols; metal-hydride atom transfer (MHAT)},
	year = {2024},
	eissn = {1437-210X}
}

@article{MTMT:35379141,
	title = {Phosphine-promoted intramolecular Rauhut-Currier/Wittig reaction cascade to access (hetero)arene-fused diquinanes},
	url = {https://m2.mtmt.hu/api/publication/35379141},
	author = {Maurya, Jay Prakash and Swain, Subham S. and Ramasastry, S. S. V.},
	doi = {10.1039/d4ob00984c},
	journal-iso = {ORG BIOMOL CHEM},
	journal = {ORGANIC & BIOMOLECULAR CHEMISTRY},
	volume = {22},
	unique-id = {35379141},
	issn = {1477-0520},
	year = {2024},
	eissn = {1477-0539},
	pages = {5718-5723},
	orcid-numbers = {Maurya, Jay Prakash/0009-0009-8704-6696; Ramasastry, S. S. V./0000-0001-5814-9092}
}

@article{MTMT:34363242,
	title = {Tetra-tert-butyl-s-indacene is a Bond-Localized C<sub>2h</sub> Structure and a Challenge for Computational Chemistry},
	url = {https://m2.mtmt.hu/api/publication/34363242},
	author = {Karas, Lucas J. J. and Jalife, Said and Viesser, Renan V. V. and Soares, Joao V. and Haley, Michael M. M. and Wu, Judy I. I.},
	doi = {10.1002/anie.202307379},
	journal-iso = {ANGEW CHEM INT EDIT},
	journal = {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION},
	volume = {62},
	unique-id = {34363242},
	issn = {1433-7851},
	abstract = {Whether tetra-tert-butyl-s-indacene is a symmetric D-2h structure or a bond-alternating C-2h structure remains a standing puzzle. Close agreement between experimental and computed proton chemical shifts based on minima structures optimized at the M06-2X, ?B97X-D, and M11 levels confirm a bond-localized C-2h symmetry, which is consistent with the expected strong antiaromaticity of TtB-s-indacene.},
	keywords = {density functional theory; ANTIAROMATICITY; B3LYP; s-indacene; Expanded & pi;-Conjugated Systems},
	year = {2023},
	eissn = {1521-3773},
	orcid-numbers = {Jalife, Said/0000-0003-0337-8730}
}

@article{MTMT:34076327,
	title = {Bis-benzofulvenes: Synthesis and Studies on Their Optoelectronic Properties},
	url = {https://m2.mtmt.hu/api/publication/34076327},
	author = {Mondal, S and Ballav, T and Mohammad, TS and Ganesh, V},
	doi = {10.1021/acs.orglett.3c01318},
	journal-iso = {ORG LETT},
	journal = {ORGANIC LETTERS},
	volume = {25},
	unique-id = {34076327},
	issn = {1523-7060},
	year = {2023},
	eissn = {1523-7052},
	pages = {3941-3945}
}