PUBLICATIONS
Category A: Electronic Structure and Reactivity of Main-Group and Organometallic Systems
Category B: Valence Bond Theory and the Interference Energy Analysis
Category C: Molecular Astrochemistry: Structure and Spectroscopy
2021
[60] Angew. Chem. Int. Ed. 2021, 60, 24338–24394.
The Dimethylbismuth Cation: Entry into Dative Bi–Bi Bonding and Unconventional Methyl Exchange
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
J. Ramler, F. Fantuzzi, F. Geist, A. Hanft, H. Braunschweig, B. Engels, C. Lichtenberg
Hot Paper; Highlighted as Frontispiece
DOI (German Version): 10.1002/ange.202109545
[59] Angew. Chem. Int. Ed. 2021, 60, 24318–24325.
Cyclo-Dipnictadialanes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
S. Nees, F. Fantuzzi, T. Wellnitz, M. Fischer, J.-E. Siewert, J. T. Goettel, A. Hofmann, M. Härterich, H. Braunschweig, C. Hering-Junghans
DOI (German Version): 10.1002/ange.202111121
[58] Angew. Chem. Int. Ed. 2021, 60, 20776–20780.
A Neutral Beryllium(I) Radical
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
C. Czernetzki, M. Arrowsmith, F. Fantuzzi, A. Gärtner, I. Krummenacher, F. Schorr, T. Tröster, H. Braunschweig
Very Important Paper; Department’s Most Read Paper on ResearchGate (August 2021)
DOI (German version): 10.1002/ange.202108405
[57] Angew. Chem. Int. Ed. 2021, 60, 16864–16868.
Platinum-Templated Coupling of B=N Units: Synthesis of BNBN Analogues of 1,3-Dienes and a Butatriene
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
C. Brunecker, M. Arrowsmith, F. Fantuzzi, H. Braunschweig
DOI (German version): 10.1002/ange.202106161
[56] Angew. Chem. Int. Ed. 2021, 60, 13666–13670.
Adducts of the Parent Boraphosphaketene H2BPCO and their Decarbonylative Insertion Chemistry
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
S. Hagspiel, F. Fantuzzi, R. D. Dewhurst, A. Gärtner, F. Lindl, A. Lamprecht, H. Braunschweig
DOI (German version): 10.1002/ange.202103521
[55] Angew. Chem. Int. Ed. 2021, 60, 13661–13665.
Isolation of Neutral, Mono-, and Dicationic B2P2 Rings by Diphosphorus Addition to a Boron–Boron Triple Bond
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
T. Brückner, F. Fantuzzi, T. E. Stennett, I. Krummenacher, R. D. Dewhurst, B. Engels, H. Braunschweig
DOI (German version): 10.1002/ange.202102218
[54] Angew. Chem. Int. Ed. 2021, 60, 6446–6450.
Highly Colored Boron-Doped Thiazolothiazoles from the Reductive Dimerization of Boron Isothiocyanates
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
S. Hagspiel, M. Arrowsmith, F. Fantuzzi, A. Vargas, A. Rempel, A. Hermann, T. Brückner, H. Braunschweig
DOI (German Version): 10.1002/ange.202015508
[53] Angew. Chem. Int. Ed. 2021, 60, 3812–3819.
Isolation and Reactivity of an Antiaromatic s-Block Metal Compound
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
D. K. Roy, T. Tröster, F. Fantuzzi, R. D. Dewhurst, C. Lenczyk, K. Radacki, C. Pranckevicius, B. Engels*, H. Braunschweig
Highlighted in Chemistry World
DOI (German version): 10.1002/ange.202014557
[52] Angew. Chem. Int. Ed. 2021, 2963–2968.
Reduction and Rearrangement of a Boron(I) Carbonyl Complex
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
M. Rang, F. Fantuzzi, M. Arrowsmith, I. Krummenacher, E. Beck, R. Witte, A. Matler, A. Rempel, T. Bischof, K. Radacki, B. Engels, H. Braunschweig
DOI (German Version): 10.1002/ange.202014167
[51] Chem. Sci. 2021, 12, 11864–11872.
One- and Two-Electron Reduction of Triarylborane-Based Helical Donor-Acceptor Compounds
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
X. Jia, J. Nitsch, Z. Wu, A. Friedrich, J. Krebs, I. Krummenacher, F. Fantuzzi, H. Braunschweig, M. Moos, C. Lambert, B. Engels, T. Marder
DOI: 10.1039/D1SC02409D
[50] Chem. Sci. 2021, 12, 7937–7942.
Reactivity of cyano- and isothiocyanatoborylenes: metal coordination, one-electron oxidation and boron-centred Brønsted basicity
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
S. Hagspiel, E. Dren, M. Arrowsmith, F. Fantuzzi, A. Vargas, A. Rempel, M. Härterich, I. Krummenacher, H. Braunschweig
DOI: 10.1039/D1SC01580J
[49] Chem. Commun. 2021, 57, 2645–2648.
Dialkynyldiboranes(4) and the selectable reactivity of their C–H, C≡C and B–B bonds
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
[48] Chem. Eur. J. 2021, 27, 16043–16048.
Controlled Synthesis of Oligomers Containing Main-Chain B(sp2)-B(sp2) Bonds
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
F. Schorr, N. Schopper, N. Riensch, F. Fantuzzi, M. Neder, R. Dewhurst, T. Thiess, T. Brückner, K. Hammond, H. Helten, M. Finze, H. Braunschweig
[47] Chem. Eur. J. 2021, 27, 15751–15756.
Diphosphino-Functionalized 1,8-Naphthyridines: a Multifaceted Ligand Platform for Boranes and Diboranes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
J. Cui, M. Dietz, M. Härterich, F. Fantuzzi, W. Lu, R. Dewhurst, H. Braunschweig
[46] Chem. Eur. J. 2021, 27, 12126–12136.
Taming the Antiferromagnetic Beast: Computational Design of Ultrashort Mn−Mn Bonds Stabilized by N-Heterocyclic Carbenes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
M. A. S. Francisco, F. Fantuzzi, T. M. Cardozo, P. M. Esteves, B. Engels, R. R. Oliveira
[45] Chem. Eur. J. 2021, 27, 5160–5170.
Twisting versus Delocalization in CAAC- and NHC-Stabilized Boron-Based Biradicals: The Roles of Sterics and Electronics
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
P. Schmid, F. Fantuzzi, J. Klopf, N. B. Schröder, R. D. Dewhurst, H. Braunschweig, V. Engel, B. Engels
Hot Paper; Highlighted as Front Cover; Highlighted as Cover Profile
[44] Inorg. Chem. 2021, 60, 17, 12790–12800.
Understanding, Modulating, and Leveraging Transannular M→Z Interactions
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
B. Ghosh, F. Fantuzzi, A. Phukan
Department’s Most Read Paper on ResearchGate (August 2021)
[43] Dalton Trans. 2021, 50, 12430–12434.
Unexpected formation of a dodecanuclear {Co(II)6Cu(II)6} nanowheel under ambient conditions: magneto-structural correlations
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
W. D. do Pim, I. F. Silva, E. N. da Silva Jr., H. O. Stumpf, W. X. C. Oliveira, E. F. Pedroso, C. B. Pinheiro. Y. Journaux, F. Fantuzzi, I. Krummenacher, H. Braunschweig, B. Engels, J. Cano, M. Julve, C. L. M. Pereira
DOI: 10.1039/D1DT02268G
[42] J. Org. Chem. 2021, 86, 264–278.
Rhodium(III)-Catalyzed C–H/N–H Alkyne Annulation of Non-Symmetric 2-Aryl-(Benz)Imidazole Derivatives: Photophysical and Mechanistic Insights
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
G. Dias, E. Paz, J. Kadooka, A. Sabino, L. Cury, K. Torikai, C. Simone, F. Fantuzzi, E. N. da Silva Jr.
[41] Dalton Trans. 2021, 50, 840–849.
Splitting of Multiple Hydrogen Molecules by Bioinspired Diniobium Metal Complexes: A DFT Study
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
F. Fantuzzi, M. A. C. Nascimento, B. Ginovska, R. M. Bullock, S. Raugei
Highlighted as Front Cover; Highlighted in Dalton Transactions HOT Articles
DOI: 10.1039/D0DT03411H
[40] J. Appl. Phys. 2021, 129, 205102.
Ab initio study of structural and electronic properties of lithium fluoride nanotubes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
[39] Mon. Not. R. Astron. Soc. 2021, 500, 2564–2576.
Gas-phase spectroscopic characterization of neutral and ionic polycyclic aromatic phosphorus heterocycles (PAPHs)
Category C
Molecular Astrochemistry: Structure and Spectroscopy
R. R. Oliveira, G. Molpeceres, F. Fantuzzi, H. M. Quitián-Lara, H. M. Boechat-Roberty, J. Kästner
[38] J. Chem. Phys. 2021, 154, 114302.
Fragmentation of isocyanic acid, HNCO, following core excitation and ionization
Category C
Molecular Astrochemistry: Structure and Spectroscopy
M. Gerlach, F. Fantuzzi, L. Wohlfart, K. Kopp, B. Engels, J. Bozek, C. Nicolas, D. Mayer, M. Gühr, F. Holzmeier, I. Fischer
Department's Most Read Paper on ResearchGate (May 2021)
DOI: 10.1063/5.0044506
2020
[37] Angew. Chem. Int. Ed. 2020, 59, 19338–19343.
cAAC-Stabilized 9,10-diboraanthracenes – acenes with open-shell singlet biradical ground states
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
C. Saalfrank, F. Fantuzzi, T. Kupfer, B. Ritschel, A. Matler, K. Hammond, I. Krummenacher, R. Bertermann, R. Wirthensohn, M. Finze, P. Schmid, V. Engel, B. Engels, H. Braunschweig
Very Important Paper
DOI (German version): 10.1002/ange.202008206
[36] Angew. Chem. Int. Ed. 2020, 59, 15717–15725.
Oxidation, Coordination and Nickel-Mediated Deconstruction of a Highly Electron-Rich Diboron Analogue of 1,3,5-Hexatriene
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
A. Hermann, F. Fantuzzi, M. Arrowsmith, T. Zorn, I. Krummenacher, B. Ritschel, K. Radacki, B. Engels, H. Braunschweig
DOI (German version): 10.1002/ange.202006131
[35] Angew. Chem. Int. Ed. 2020, 59, 15480–15486.
Diborane(4) Azides: Surprisingly Stable Sources of Transient Iminoboranes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
T. Thiess, G. Bélanger-Chabot, F. Fantuzzi, M. Michel, M. Ernst, B. Engels, H. Braunschweig
Department's Most Read Paper on ResearchGate (July 2020)
DOI (German version): 10.1002/ange.202003050
[34] Chem. Sci. 2020, 11, 9134–9140.
Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
M. Heß, T. E. Stennett, F. Fantuzzi, R. Bertermann, M. Schock, M. Schäfer, T. Thiess, H. Braunschweig
DOI: 10.1039/D0SC02283G
[33] Chem. Sci. 2020, 11, 551–555.
Reduction of a Dihydroboryl Cation to a Boryl Anion and its Air-Stable, Neutral Hydroboryl Radical through Hydrogen Shuttling
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
S. Hagspiel, M. Arrowsmith, F. Fantuzzi, A. Hermann, V. Paprocki, R. Drescher, I. Krummenacher, H. Braunschweig
DOI: 10.1039/C9SC05026D
[32] Chem. Commun. 2020, 56, 14809–14812.
Tuneable reduction of cymantrenylboranes to diborenes or borylene-derived boratafulvenes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
U. Schmidt, F. Fantuzzi, M. Arrowsmith, A. Hermann, D. Prieschl, A. Rempel, B. Engels, H. Braunschweig
DOI: 10.1039/D0CC06398C
[31] Chem. Eur. J. 2020, 26, 16019–16027.
Functionalization of N2 via Formal 1,3-Haloboration of a Tungsten(0) σ-Dinitrogen Complex
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
A. Rempel, S. K. Mellerup. F. Fantuzzi, A. Herzog, A. Deißenberger, R. Bertermann, B. Engels, H. Braunschweig
[30] Chem. Eur. J. 2020, 26, 10981–10986.
Ruthenium(II)-Catalyzed Double Annulation of Quinones: Step-Economical Access to Valuable Bioactive Compounds
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
E. N. da Silva Jr., R. L. Carvalho, R. G. Almeida, L. G. Rosa, F. Fantuzzi, T. Rogge, P. M. S. Costa, C. O. Pessoa, C. Jacob, L. Ackermann
Highlighted in Hot Topic: C-H Activation; Special Issue: 8th EuChemS Chemistry Congress
[29] Chem. Eur. J. 2020, 26, 8518–8523.
Boranediyl- and Diboran(4)-1,2-diyl-bridged Platinum A-Frame Complexes
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
C. Brunecker, J. H. Müssig, M. Arrowsmith, F. Fantuzzi, A. Stoy, J. Böhnke, A. Hofmann, R. Bertermann, B. Engels, H. Braunschweig
Department's Most Read Paper on ResearchGate (March 2020)
[28] Mon. Not. R. Astron. Soc. 2020, 499, 6066–6083.
Dissociative single and double photoionization of biphenyl (C12H10) by soft X-rays in planetary nebulae
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
H. M. Quitián-Lara, F. Fantuzzi, R. R. Oliveira, M. A. C. Nascimento, W. Wolff, H. M. Boechat-Roberty
Highlighted in AstroPAH
[27] RSC Adv. 2020, 10, 35039–35048.
Are disulfide bonds resilient to double ionization? Insights from coincidence spectroscopy and ab initio calculations
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
L. R. Varas, F. Fantuzzi, L. H. Coutinho, R. B. Bernini, M. A. C. Nascimento, G. G. B. de Souza
DOI: 10.1039/D0RA05979J
[26] J. Phys. Chem. A 2020, 124, 9261–9271.
Production of Long-Lived Benzene Dications from Electron Impact in the 20-2000 eV Energy Range Combined with the Search for Global Minimum Structures
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
W. Wolff, A. Perlin, R. R. Oliveira, F. Fantuzzi, L. H. Coutinho, F. A. Ribeiro, G. Hilgers
[25] J. Phys. Chem. A 2020, 124, 6845–6855.
Structure, Stability and Spectroscopic Properties of Small Acetonitrile Cation Clusters
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
H. B. A. Cerqueira, J. C. Santos, F. Fantuzzi. F. A. Ribeiro, M. L. M. Rocco, R. R. Oliveira, A. B. Rocha
2019
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
[24] J. Am. Chem. Soc. 2019, 141, 16954–16960.
Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions
S. Mellerup, Y. Cui, F. Fantuzzi, P. Schmid, J. Goettel, G. Bélanger-Chabot, M. Arrowsmith, I. Krummenacher, Q. Ye, V. Engel, B. Engels, H. Braunschweig
DOI: 10.1021/jacs.9b09128
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
[23] Angew. Chem. Int. Ed. 2019, 58, 12893–12897.
Bond‐Strengthening Backdonation in Aminoborylene‐Stabilized Aminoborylenes: At the Intersection of Borylenes and Diborenes
C. Pranckevicius, C. Herok, F. Fantuzzi, B. Engels, H. Braunschweig
Hot Paper; Special Issue: Science Forum 2019
DOI (German version): 10.1002/ange.201906671
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
[22] Chem. Commun. 2019, 55, 9677–9680.
Selective Mono- and Dimetallation of a Group 3 Sandwich Complex
A. J. Martínez-Martínez, A. R. Kennedy, V. Paprocki, F. Fantuzzi, R. D. Dewhurst, C. T. O'Hara, H. Braunschweig, R. E. Mulvey
DOI: 10.1039/C9CC03825F
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
[21] Chem. Eur. J. 2019, 25, 5269–5279.
Mechanistic Insights into the Formation of Lithium Fluoride Nanotubes
F. Fantuzzi, R. R. Oliveira, A. Henkes, J. Rubayo-Soneira, M. A. C. Nascimento
DOI: 10.1002/chem.201805991
Category B
Valence Bond Theory and the Interference Energy Analysis
[20] Phys. Chem. Chem. Phys. 2019, 21, 24984–24992.
Unexpected reversal of stability in strained systems containing one-electron bonds
F. Fantuzzi, W. Wolff, H. M. Quitián-Lara, H. M. Boechat-Roberty, G. Hilgers, B. Rudek, M. A. C. Nascimento
Hot PCCP Article
DOI: 10.1039/C9CP04964A
Category C
Molecular Astrochemistry: Structure and Spectroscopy
[19] Mon. Not. R. Astron. Soc. 2019, 488, 451–469.
Destruction and multiple ionization of PAHs by X-rays in circumnuclear regions of AGNs
T. Monfredini, H. M. Quitián-Lara, F. Fantuzzi, W. Wolff, E. Mendoza, A. F. Lago, D. A. Sales, M. G. Pastoriza, H. M. Boechat-Roberty
Highlighted in AstroPAH; Highlighted in Ciência LNLS
arXiv: 1808.07626
2018
[18] J. Am. Chem. Soc. 2018, 140, 4288–4292.
Doubly and Triply Charged Species Formed from Chlorobenzene Reveal Unusual C–Cl Multiple Bonding
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
F. Fantuzzi, B. Rudek, W. Wolff, M. A. C. Nascimento
DOI: 10.1021/jacs.7b12749
[17] Inorg. Chem. 2018, 57, 3931–3940.
Diboryne Nanostructures Stabilized by Multitopic N-Heterocyclic Carbenes: A Computational Study
Category A
Electronic Structure and Reactivity of Main-Group and Organometallic Systems
F. Fantuzzi, C. B. Coutinho, R. R. Oliveira, M. A. C. Nascimento
DOI: 10.1021/acs.inorgchem.8b00089
[16] Astrophys. J. 2018, 854, 61.
Hydrogenated Benzene in Circumstellar Environments: Insights into the Photostability of Super-hydrogenated PAHs
Category C
Molecular Astrochemistry: Structure and Spectroscopy
H. M. Quitián-Lara, F. Fantuzzi, M. A. C. Nascimento, W. Wolff, H. M. Boechat-Roberty
Highlighted in AstroPAH