Publications


2019

“A Modular Access to Divinyldiphosphenes with a Strikingly Small HOMO–LUMO Energy Gap” Rottschäfer, D.; Sharma, M. K.; Neumann, B. ; Stammler, H.-G.; Andrada, D. M.; Ghadwal, R. S. Chem. Eur. J. 2019, 25, 8127-8134.

 “Synthesis, Structure, and Bonding Analysis of Tin(II) Dihalide and Cyclopentadienyltin(II) Halide cyclic (alkyl)(amino)carbene complexes” Müller, C.; Andrada, D.M.; Bischoff, I.-A.; Zimmer, M.; Huch, V.; Steinbrück, N.; Schäfer, A. Organometallics 2019, 38, 1052-1061

 “Synthesis, Structure, and Bonding Analysis of Tin(II) “Dative versus Electron-Sharing Bonding in N-Imides and Phosphane Imides R3ENX and Relative Energies of the R2EN(X)R Isomers (E = N, P; R = H, Cl, Me, Ph; X = H, F, Cl)” Tao Yang, Diego M. Andrada, Gernot Frenking
Molecular Physics, 2019, 117, 1306-1314.

2018

“Benchmarking lithium amide versus amine bonding by charge density and energy decomposition analysis arguments” Felix, Engelhardt; Christian Maaß; Diego M. Andrada; Herbst-Irmer, R.; Stalke, D. Chem. Sci. 2018, 9, 3111.

“Energy decomposition analysis” Zhao, L.; von Hopffgarten, M.; Andrada, D. M.; Frenking, G. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2018, 8, e1345.

“Crystalline Radicals Derived from Classical N-Heterocyclic Carbenes” Ghadwal, R.; Rottschäfer, D.; Neumann, B.; Stammler, H.-G.; van Gastel, M.; Andrada, D. Angew. Chem., Int. Ed., 2018, 57, 4765. Read more

“N-Heterocyclic Carbene Analogues of Thiele and Chichibabin Hydrocarbons” Rottschafer, D.; Ho, N. K. T.; Neumann, B.; Stammler, H. G.; van Gastel, M.; Andrada, D. M.; Ghadwal, R. S. Angew. Chem., Int. Ed. 2018, 57, 5838.

“Dative versus Electron-Sharing Bonding in N-Oxides and Phosphane Oxides R3EO and Relative Energies of the R2EOR Isomers (E = N, P; R = H, F, Cl, Me, Ph). A Theoretical Study” Tao Yang, Diego M. Andrada, Gernot Frenking, Phys. Chem. Chem. Phys. 2018 20, 11856.

“Kekule diradicaloids derived from a classical N-heterocyclic carbene” Rottschafer, D.; Neumann, B.; Stammler, H. G.; Andrada, D. M.; Ghadwal, R. S. Chem. Sci. 2018, 9, 4970.

“Dative and Electron-Sharing Bonding in C2F4 Diego M. Andrada, José Luis Casalz-Sainz, Ángel Martin Pendas, Gernot Frenking Chem Eur J 2018, 24, 9083.

“Photoinduced Nucleophilic Substitution of Iodocubanes with Arylthiolate and Diphenylphosphanide ions. Experimental and Computational Approaches” Liliana B. Jimenez, Marcelo Puiatti, Federico Brigante, Karina F. Crespo Andrada, Diego M. Andrada, Roberto A. Rossi, Ronny Priefer, Adriana B. Pierini RSC Adv., 2018, 8, 39222.

2017

“A Stable Neutral Radical in the Coordination Sphere of Aluminum” Bin Li, Subrata Kundu, A. Claudia Stückl, Hongping Zhu, Helena Keil, Regine Herbst-Irmer, Dietmar Stalke, Brigitte Schwederski, Wolfgang Kaim, Diego M. Andrada, Gernot Frenking and Herbert W. Roesky Angew. Chem., Int. Ed. 2017, 56, 397.

“An Open Route to Asymmetric Substituted Al–Al Bonds via Comproportionation of Al(I)- and Al(III)- Precursors” Bin Li, Subrata Kundu, Hongping Zhu, Helena Keil, Regine Herbst-Irmer, Dietmar Stalke, Gernot Frenking, Diego M. Andrada, Herbert W. Roesky. Chem. Comm., 2017, 53, 2543.

“Heterocumulene Sulfinyl Radical OCNSO”. Zhuang Wu,Qifan Liu, Jian Xu, Hailong Sun, Dingqing Li, Chao Song,Diego M. Andrada, Gernot Frenking, Tarek Trabelsi, Joseph S. Francisco, and Xiaoqing Zeng. Angew. Chem. Int. Ed. 2017, 56, 2140.

“An Electrophilic Anchored Silylene-Phosphinidene” Subrata Kundu, Bin Li, Johannes Kretsch, Regine Herbst-Irmer, Diego M. Andrada, Gernot Frenking, Dietmar Stalke, Herbert W. Roesky. Angew. Chem., Int. Ed. 2017, 56, 4219.

The Bonding Situation in Metalated Ylides Lennart T. Scharf, Diego M. Andrada, Gernot Frenking, Viktoria H. Gessner. Chem Eur J 2017, 23, 4422.

“Dicarbonyls of Carbon and Methylidyne Cations” Jiaye Jin, Lili Zhao, Xiaonan Wu, Wei Li, Yuhong Liu, Diego M. Andrada, Mingfei Zhou, Gernot Frenking. J. Phys. Chem. A, 2017, 121, 2903.

“Dicarbondiphosphide derivatives, (L)2C2P2, stabilized by N-Heterocyclic Carbenes or Cyclic Diamido Carbenes (L = NHC, DAC)” Zhongshu Li, Xiaodan Chen, Diego M. Andrada, Gernot Frenking, Zoltán Benkö, Yaqi Li, Jeffrey R. Harmer, Cheng-Yong Su, Hansjörg Grützmacher. Angew. Chem., Int. Ed. 2017, 129, 5838.

“A C2 Fragment as Four-Electron σ-Donor”. Wolfgang Petz, Diego M. Andrada, Markus Hermann, Gernot Frenking, Bernhard Neumüller ZAAC, 2017, 643, 1096.

“Carbene Stabilized Interconnected Bis-germylene and its Silicon Analogue with Small Methyl Substituents”. Herbert Roesky, Subrata Kundu, Prinson Samuel, Anna Luebben, Diego M. Andrada, Gernot Frenking, Birger Dittrich. Chem Sci. 2017, 46, 7947.

“Exhibiting Normal (C2) and Abnormal (C4) Binding Modes of an N-Heterocyclic carbene (NHC) with a Model System (NHC)W(CO)5 Rajendra S. Ghadwal, Dennis Rottschäfer, Diego M. Andrada, Gernot Frenking and Christian J. Schürmann. Dalton Trans 2017, 46, 7791.

“Organosilicon radicals with Si-H and Si-Me bonds from commodity precursors” Kundu; Samuel; Sinhababu; Luebben; Dittrich; Andrada; Frenking; Stuckl; Schwederski; Paretzki; Kaim; Roesky. J. Am. Chem. Soc. 2017, 139, 11028.

“Carbodicarbenes: Unexpected π-accepting ability during reactivity with small molecules” Chen; Shih; Jurca; Zhao; Andrada; Peng; Chang; Liu.; Wang; Wen. Yap; Hsu; Frenking; Ong. J. Am. Chem. Soc. 2017, 139, 12830.

“Mechanistic Insight into the Cu-Catalyzed C-S Cross-Coupling of Thioacetate with Aryl Halides. A Joint Experimental-Computational Study” Silvia M. Soria-Castro, Diego M. Andrada, Daniel A. Caminos, Juan E. Argüello, Marc Robert and Alicia B. Peñéñory, J. Org. Chem. 2017, 82, 11464.

“Understanding the Heteroatom Effect on the Ullmann Copper-Catalyzed Cross-Coupling of X-Arylation (X = NH, O, S) Mechanism” Diego M. Andrada, Silvia M. Soria-Castro, Daniel A. Caminos, Juan E. Argüello and Alicia B. Peñéñory, Catalysts 2017, 7, 388.

2016

“The [B3(NN)3]+ and [B3(CO)3]+ Complexes Featuring the Smallest π-Aromatic Species B3+ Jiaye Jin, Guanjun Wang, Mingfei Zhou, Diego M. Andrada, Markus Hermann and Gernot Frenking. Angew. Chem., Int. Ed. 2016, 55, 2078.

“Observation of Boron Tricarbonyl [B(CO)3] Featuring a Tilted η11-CO)-Bonded Carbonyl Ligand” Jiwen Jian, Hui Qu, Hailu Lin, Mohua Chen, Mingfei Zhou, Diego M. Andrada, Markus Hermann and Gernot Frenking. Chem. Eur. J. 2016, 22, 2376.

“A Triatomic Silicon(0) Cluster Stabilized by a Cyclic Alkyl(amino) Carbene” Kartic. C. Mondal, Sudipa Roy, Birger Dittrich, Diego M. Andrada, Gernot Frenking, Herbert W. Roesky Angew. Chem., Int. Ed. 2016, 55, 3158.

“Donor-acceptor bonding in novel low-coordinated compounds of boron and group-14 atoms C-Sn” Gernot Frenking, Markus Hermann, Diego M. Andrada, Nicole Holzmann Chem. Soc. Rev. 2016, 45, 1129.

“Proton Affinities of Cationic Carbone Adducts [AC(PPh3)2]+ (A=Halogen, Hydrogen, Methyl) and Unusual Electronic Structures of the Cations and Dications [AC(H)(PPh3)2]2+ Wolfgang Petz, Istemi Kuzu, Gernot Frenking, Diego M. Andrada, Bernhard Neumüller, Maximilian Fritz, M. Jörn Münzer Chem. Eur. J. 2016, 22, 8536.

“Comparison of Hydrogen and Gold Bonding in [XHX]-, [XAuX]-, and Isoelectronic [NgHNg]+, [NgAuNg]+ (X = Halogen, Ng = Noble Gas)” Sławomir J. Grabowski Jesus M. Ugalde, Diego M. Andrada, and Gernot Frenking Chem. Eur. J. 2016, 22, 11317.

“Bonding Analysis of Ylidone Complexes EL2 (E = C – Pb) with Phosphine and Carbene Ligands” Diego M. Andrada, Nicole Holzmann and Gernot Frenking. Can J. Chem 2016, 94, 1006.

“The Structure of the Carbene Stabilized Si2HMay Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds” Chandrajeet Mohapatra, Subrata Kundu, Dietmar Stalke, Regine Herbst-Irmer, Diego M. Andrada, Gernot Frenking and Herbert W. Roesky. J. Am. Chem. Soc., 2016, 138, 10429.

2015

“Carbon Monoxide Bonding With BeO and BeCO3 : Surprisingly High CO Stretching Frequency of OCBeCO3”. Mohua Chen, Qingnan Zhang, Mingfei Zhou, Diego M. Andrada, and Gernot Frenking. Angew. Chem. Int. Ed. 2015, 54, 124.

“Experimental and Theoretical Studies of the Infrared Spectra and Bonding Properties of NgBeCO3 and a Comparison with NgBeO (Ng = He, Ne, Ar, Kr, Xe)”. Mohua Chen, Qingnan Zhang, Mingfei Zhou, Diego M. Andrada, and Gernot Frenking. J. Phys. Chem. A, 2015, 119, 2543.

“Cyclic trinuclear copper(I), silver(I), and gold(I) complexes: a theoretical insight”. Giovanni F. Caramori, Rafael M. Piccoli, Maximiliano Segala, Alvaro Muñoz-Castro, Raul Guajardo-Maturana, Diego M. Andrada and Gernot Frenking. Dalton Trans. 2015, 44, 377.

“Carbene-Dichlorosilylene Stabilized Phosphinidenes Exhibiting Strong Intramolecular Charge Transfer Transition”. Sudipta Roy, Peter Stollberg, Regine Herbst-Irmer, Dietmar Stalke, Diego M. Andrada, Gernot Frenking and Herbert W. Roesky. J. Am. Chem. Soc. 2015, 137, 150.

“Nucleophilic substitution in ionizable Fischer thiocarbene complexes: steric effect of the alkyl substituent on the heteroatom”. Diego M. Andrada, Martin E. Zoloff Michoff, Rita H. de Rossi and Alejandro M. Granados. Dalton Trans. 2015, 44, 5520.

“Photoremoval of Protecting Groups: Mechanistic Aspects of 1,3-Dithiane Conversion to a Carbonyl Group”. Gabriela Oksdath-Mansilla, Viviane Hajj, Diego M. Andrada, Juan E. Argüello, Julien Bonin, Marc Robert and Alicia B. Peñéñory. J. Org. Chem. 2015, 80, 2733.

“Bonding situation in silicon complexes [(L)2(Si2)] and [(L)2(Si)] with NHC and cAAC ligands”. Nicole Holzmann, Diego Andrada and Gernot Frenking. J. Organomet. Chem. 2015, 792, 139.

“Syntheses, Characterization and Theoretical Investigation of Two Coordinate Palladium(0) and Platinum(0) Complexes Utilizing π-accepting Carbenes”. Sudipta Roy, Kartik C. Mondal, Jann Meyer, Benedikt Niepötter, Christian Köhler, Regine Herbst-Irmer, Dietmar Stalke, Birger Dittrich, Diego M. Andrada, Gernot Frenking, Herbert W. Roesky. Chem Eur. J. 2015, 21, 9312. HOT PAPER.

“Stabilization of Heterodiatomic SiC Through Ligand Donation. Theoretical Investigation of SiC(L)2 (L = NHC, CAAC, PMe3)”. Diego M. Andrada and Gernot Frenking. Angew. Chem. Int. Ed. 2015, 54, 12319.

“Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)2]–” Qingnan Zhang, Wan-Lu Li, Cong-Qiao Xu, Mohua Chen, Mingfei Zhou, Jun Li, Diego M. Andrada, and Gernot Frenking. Angew. Chem. Int. Ed. 2015, 54, 139.

“Mono- and Di-Cationic Hydrido Boron Compounds” Rajendra S. Ghadwal, Christian J. Schürmann, Diego M. Andrada, Gernot Frenking. Dalton Trans. 2015, 44, 14359.

“Direct Estimation of the π-Donation within Carbene Compounds” Diego M. Andrada, Nicole Holzmann, Thomas Hamadi and Gernot Frenking. Beilstein J. Org. Chem. 2015, 11, 2727.

2014

“A Two Coordinate Nickel with Two Radical Entities”. Kartik C. Mondal, Prinson P. Samuel, Yan Li, Herbert W. Roesky, Sudipta Roy, Lutz Ackermann, Navdeep S. Sidhu, George M. Sheldrick, Elena Carl, Serhiy Demeshko, Susmita De, Pattiyil Parameswaran, Liviu Ungur, Liviu F. Chibotaru, Diego M. Andrada. Eur. J. Inorg. Chem. 2014, 818.

“Isolation of Bridging and Terminal Coinage Metal –Nitrene Complexes”. Fabian Dielmann, Diego M. Andrada, Gernot Frenking and Guy Bertrand. J. Am. Chem. Soc. 2014, 136, 3800.

“Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study”. Yan Li, Hongping Zhu, Diego M. Andrada, Gernot Frenking and Herbert W. Roesky. Chem.Commun. 2014, 50, 4628.

“Ruthenophanes: Evaluating Cation –π Interactions in [Ru(η6‑C16H12R4) (NH3)3]2+/3+ Complexes. A Computational Insight”. Giovanni F. Caramori, Leone C. Garcia, Diego M. Andrada and Gernot Frenking. Organometallics 2014, 33, 2301.

“Silavinylidene Stabilized by an N-Heterocyclic Carbene: A Theoretically Predicted Stable Molecule” Jing Xu, Yi-Hong Ding, Diego M. Andrada and Gernot Frenking. Chem. Eur. J. 2014, 20, 9216.

“Ruthenium(II) complexes of N-heterocyclic carbenes derived from imidazolium-linked cyclophanes” Giovanni F. Caramori, Leone C. Garcia, Diego M. Andrada and Gernot Frenking. Dalton Trans., 2014, 43, 14710.

2013

“Facile access to silyl-functionalized N-heterocyclic olefins with HSiCl3. Rajendra S. Ghadwal, Sven O. Reichmann, Felix Engelhardt, Diego M. Andrada and Gernot Frenking. Chem. Comm. 2013, 49, 9440.

“Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom”. Yan Li, Kartik Chandra Mondal, Herbert W. Roesky, Hongping Zhu, Peter Stollberg, Regine Herbst-Irmer, Dietmar Stalke, Diego M. Andrada, Ricardo A. Mata. J. Am. Chem. Soc. 2013, 135, 12422.

“Preorganized Anion Traps for Exploiting Anion-π Interactions – an Experimental and Computational Study”. Anne Bretschneider, Diego M. Andrada, Sebastian Dechert, Steffen Meyer, Ricardo A. Mata and Franc Meyer. Chem. Eur J 2013, 19, 16988.

“Strong intermolecular interactions shaping a small piano stool complex” Jakob Hey, Diego M. Andrada, Reent Michel, Ricardo A. Mata, Dietmar Stalke. Angew. Chem. Int. Ed. 2013, 52, 10365.

“The Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand” Christian Maaß, Diego M. Andrada, Ricardo A. Mata, Regine Herbst-Irmer, and Dietmar Stalke. Inorg. Chem 2013, 52, 9539.

2012-2007

“DFT Study of Thermal 1,3-Dipolar Cycloaddition reactions between Alkynyl Metal(0) Fischer Carbene Complexes and 3H-1,2-dithiole-3-thione derivatives” Diego M. Andrada, Alejandro M. Granados, Miquel Solà, Israel Fernández. Organometallics, 2011, 30, 466.

“Mechanism of the aminolysis of Fischer alkoxy and thiocarbene complexes: A DFT study” Diego M. Andrada, J. Oscar C. Jimenez-Halla and Miquel Solà. J. Org. Chem., 2010, 75, 5821.

“Role of the hydrophobicity on the thermodynamic and kinetic acidity of Fischer thiocarbene complexes” Diego M. Andrada, Martín E. Zoloff Michoff, Rita H. de Rossi and Alejandro M. Granados. Phys. Chem. Chem. Phys., 2010, 12, 6616.

“Effect of the alkyl substituent in the p-donor heteroatom on the kinetic and thermodynamic acidities of Fischer thiocarbene complexes”. Martín E. Zoloff Michoff, Diego. M. Andrada, Alejandro M. Granados and Rita H. de Rossi. New J. Chem., 2008, 32, 65.

“Steric vs Electronic Effects in the Structure of Heteroatom (S and O) Substituted Free and Metal (Cr and W) Complexed Carbenes”. Diego M. Andrada, Martín E. Zoloff Michoff, Alejandro M. Granados, Miguel Ángel Sierra, Israel Fernández. Organometallics, 2007, 26, 5854.