A multifunctional pseudo-[6]oxocarbon molecule innate to six accessible oxidation states

Authors: Pakulski, Paweł, Magott, Michał, Chorazy, Szymon, Sarewicz, Marcin, Srebro-Hooper, Monika, Tabor, Dominika, Łapok, Łukasz, Szczepanik, Dariusz, Demir, Selvan, Pinkowicz, Dawid

Source: In Chem 14 March 2024 10(3):971-997

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

Authors: El Bakouri, Ouissam, Szczepanik, Dariusz W., Jorner, Kjell, Ayub, Rabia, Bultinck, Patrick, Solà, Miquel, Ottosson, Henrik

Source: Journal of the American Chemical Society. 144(19):8560-8575

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN629378017&indx=1&recIds=ETOCRN629378017

Quasi-aromatic Möbius chelates of cadmium(ii) nitrite and/or nitrateElectronic supplementary information (ESI) available: Fig. S1–S3 and CIF files. CCDC 1828543–1828545. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/d2ce00046f

Authors: Mahmoudi, Ghodrat, Alizadeh, Vali, Castiñeiras, Alfonso, Afkhami, Farhad, Mitoraj, Mariusz P., Szczepanik, Dariusz W., Konyaeva, Irina A., Robeyns, Koen, Safin, Damir A.

Source: CrystEngComm. 24(15):2836-2844

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100146925988.0x000001&indx=1&recIds=ETOCvdc_100146925988.0x000001

Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: a rationale for singlet fission chromophore designElectronic supplementary information (ESI) available: Plots of NICS-XY scans, AICD, EDDBH, spin density distribution and structural data. List of compounds include the following: the parent CIBA, substituted Cibalackrots, structurally altered Cibalackrot compounds and further modifications of the CIBA scaffold. See DOI: 10.1039/d1sc00382h

Authors: Zeng, Weixuan, El Bakouri, Ouissam, Szczepanik, Dariusz W., Bronstein, Hugo, Ottosson, Henrik

Source: Chemical science. 12(17):6159-6171

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100120328413.0x000001&indx=1&recIds=ETOCvdc_100120328413.0x000001

Annulated 1,4-Disilabenzene-1,4-diide and Dihydrogen Splitting.

Authors: Ebeler, Falk, Vishnevskiy, Yury V., Neumann, Beate, Stammler, Hans-Georg, Szczepanik, Dariusz W., Ghadwal, Rajendra S.

Source: Journal of the American Chemical Society; 11/6/2024, Vol. 146 Issue 44, p30584-30595, 12p

Cibalackrot‐type compounds: Stable singlet fission materials with aromatic ground state and excited state

Authors: Zeng, Weixuan, Szczepanik, Dariusz W., Bronstein, Hugo

Source: Journal of physical organic chemistry. 36(1)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100187558809.0x000001&indx=1&recIds=ETOCvdc_100187558809.0x000001

Isolierung eines anellierten 1, 4‐Distibabenzol‐Diradikaloids

Authors: Steffenfauseweh, Henric, Rottschäfer, Dennis, Vishnevskiy, Yury V., Neumann, Beate, Stammler, Hans‐Georg, Szczepanik, Dariusz W., Ghadwal, Rajendra S.

Source: Angewandte Chemie. 135(19)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100181524903.0x000001&indx=1&recIds=ETOCvdc_100181524903.0x000001

Isolation of an Annulated 1, 4‐Distibabenzene Diradicaloid

Authors: Steffenfauseweh, Henric, Rottschäfer, Dennis, Vishnevskiy, Yury V., Neumann, Beate, Stammler, Hans‐Georg, Szczepanik, Dariusz W., Ghadwal, Rajendra S.

Source: Angewandte Chemie international edition. 62(19)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100181553555.0x000001&indx=1&recIds=ETOCvdc_100181553555.0x000001

Reply to the 'Comment on "Designing potentially singlet fission materials with an anti-Kasha behaviour"' by K. Jindal, A. Majumdar and R. Ramakrishnan, Phys. Chem. Chem. Phys., 2025, 27, DOI: 10.1039/D4CP02863E.

Authors: Pino-Rios, Ricardo, Báez-Grez, Rodrigo, Szczepanik, Dariusz W., Solà, Miquel

Source: Physical Chemistry Chemical Physics (PCCP); 3/7/2025, Vol. 27 Issue 9, p4973-4975, 3p

All-metal Baird aromaticityElectronic supplementary information (ESI) available: Singlet–triplet energy gaps, molecular orbitals, optimized geometries, and cartesian coordinates. See DOI: 10.1039/d0cc05586g

Authors: Chen, Dandan, Szczepanik, Dariusz W., Zhu, Jun, Solà, Miquel

Source: Chemical communications. 56(83):12522-12525

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100110383767.0x000001&indx=1&recIds=ETOCvdc_100110383767.0x000001

Probing the Origin of Adaptive Aromaticity in 16‐Valence‐Electron Metallapentalenes

Authors: Chen, Dandan, Szczepanik, Dariusz W., Zhu, Jun, Solà, Miquel

Source: Chemistry. 26(57):12964-12971

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100108167474.0x000001&indx=1&recIds=ETOCvdc_100108167474.0x000001

Resonance Assisted Hydrogen Bonding Phenomenon Unveiled through Both Experiments and Theory: A New Family of Ethyl N‐Salicylideneglycinate Dyes

Authors: Shapenova, Dinara S., Shiryaev, Alexey A., Bolte, Michael, Kukułka, Mercedes, Szczepanik, Dariusz W., Hooper, James, Babashkina, Maria G., Mahmoudi, Ghodrat, Mitoraj, Mariusz P., Safin, Damir A.

Source: Chemistry. 26(57):12987-12995

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100108167441.0x000001&indx=1&recIds=ETOCvdc_100108167441.0x000001

Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers

Authors: Mitoraj, Mariusz P., Sagan, Filip, Szczepanik, Dariusz W., Lange, Jurgens H., Ptaszek, Aleksandra L., Niekerk, Daniel M. E., Cukrowski, Ignacy

Source: Chemphyschem. 21(6):494-502

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100103516989.0x000001&indx=1&recIds=ETOCvdc_100103516989.0x000001

Electron Delocalization in Planar Metallacycles: Hückel or Möbius Aromatic?

Authors: Szczepanik, Dariusz W., Solà, Miquel

Source: ChemistryOpen. 8(2):219-227

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100090605104.0x000001&indx=1&recIds=ETOCvdc_100090605104.0x000001

Bonding in a Crystalline Tri‐Thorium Cluster: Not σ‐Aromatic But Still Unique

Authors: Szczepanik, Dariusz W.

Source: Angewandte Chemie. 134(27)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100163052695.0x000001&indx=1&recIds=ETOCvdc_100163052695.0x000001

From (Sub)Porphyrins to (Sub)Phthalocyanines: Aromaticity Signatures in the UV–Vis Absorption Spectra

Authors: Escayola, Sílvia, Labella, Jorge, Szczepanik, Dariusz W., Poater, Albert, Torres, Tomas, Solà, Miquel, Matito, Eduard

Source: Inorganic Chemistry; September 2024, Vol. 63 Issue: 39 p18251-18262, 12p

From quantum superposition to orbital communication

Authors: Szczepanik, Dariusz W., Zak, Emil, Mrozek, Janusz

Source: In Computational and Theoretical Chemistry 1 September 2017 1115:80-87

Metalla‐Carbaporphyrinoids Consisting of an Acyclic N‐Confused Tetrapyrrole Analogue Served as Stable Near‐Infrared‐II Dyes.

Authors: Basumatary, Biju¹, Tsuruda, Hidetoshi¹, Szczepanik, Dariusz W.², Lee, Jiyeon³, Ryu, Jaehyeok³, Mori, Shigeki⁴, Yamagata, Kyo⁵, Tanaka, Takayuki⁵, Muranaka, Atsuya⁶, Uchiyama, Masanobu⁷, Kim, Jiwon³, jiwon.kim@yonsei.ac.kr, Ishida, Masatoshi⁸, ishidam@tmu.ac.jp, Furuta, Hiroyuki¹, furuta.hiroyuki.165@m.kyushu-u.ac.jp

Source: Angewandte Chemie International Edition; 6/3/2024, Vol. 63 Issue 23, p1-9, 9p

Designing potentially singlet fission materials with an anti-Kasha behaviour.

Authors: Pino-Rios, Ricardo, Báez-Grez, Rodrigo, Szczepanik, Dariusz W., Solá, Miquel

Source: Physical Chemistry Chemical Physics (PCCP); 6/7/2024, Vol. 26 Issue 21, p15386-15392, 7p

[K2(Bi@Pd12@Bi20)]^4–: An Endohedral Inorganic Fullerene with Spherical Aromaticity.

Authors: Shu, Cong-Cong, Szczepanik, Dariusz W., Muñoz-Castro, Alvaro, Solà, Miquel, Sun, Zhong-Ming

Source: Journal of the American Chemical Society; 5/22/2024, Vol. 146 Issue 20, p14166-14173, 8p