Gernot Frenking

Nanjing Tech University

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Lili Zhao

Nanjing Tech University

180

Sudip Pan

Jilin University

144

Diego M. Andrada

Saarland University

121

Herbert W. Roesky

University of Göttingen

108

Cameron Jones

Monash University

Israel Fernández

Universidad Complutense de Madrid

Markus Hermann

Philipps University of Marburg

Terrance J. Hadlington

Technical University of Munich

Paul Jerabek

Helmholtz-Zentrum Hereon

Roland A. Fischer

Technical University of Munich

Cooperative Institutions

Philipps University of Marburg

293

Robert Bosch (Germany)

150

Centre National de la Recherche Scientifique

Institute of Inorganic Chemistry of the Slovak Academy of Sciences

Chinese Academy of Sciences

University of Göttingen

Ruhr University Bochum

John Wiley & Sons (United States)

University of Michigan–Ann Arbor

Technical University of Munich

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π‐Bonding in Complexes of Benzannulated Biscarbenes, ‐germylenes, and ‐stannylenes: An Experimental and Theoretical Study

Chemistry - A European Journal (2008)

F. Ekkehardt Hahn Alexander V. Zabula Tania Pape Alexander Hepp Ralf Tonner

Abstract Benzannulated bisstannylenes, exhibiting a CH 2 C(CH 3 ) 2 CH 2 linking unit and CH 2 t Bu ( 1 ) or CH 2 CH 2 CH 2 NMe 2 ( 2 ) N ‐substituents, and their molybdenum tetacarbonyl complexes 3 and 4 have been prepared. The complexes 3 and 4 exhibit remarkably short MoE bond lengths compared to the related biscarbene and bisgermylene complexes. The experimentally determined bonding parameters of the molybdenum bisstannylene complexes are discussed based on DFT calculations.

10.1002/chem.200801128

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Citations (56)

CCDC 942620: Experimental Crystal Structure Determination

The Cambridge Structural Database (2013)

David S. Weinberger Mohand Melaïmi Curtis E. Moore Arnold L. Rheingold Gernot Frenking

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/cc10mw3m

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Citations (0)

CCDC 929240: Experimental Crystal Structure Determination

The Cambridge Structural Database (2013)

Mariusz Molon Christian Gemel Rüdiger W. Seidel Paul Jerabek Gernot Frenking

10.5517/cc105yhm

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CCDC 1422732: Experimental Crystal Structure Determination

The Cambridge Structural Database (2015)

Terrance J. Hadlington Markus Hermann Gernot Frenking Cameron Jones

Crystal (programming language)

10.5517/cc1jrglb

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CCDC 113387: Experimental Crystal Structure Determination

The Cambridge Structural Database (1999)

Sabine Schlecht Dirk V. Deubel Gernot Frenking G. Geiseler Κ. Harms

10.5517/cc3sznh

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ChemInform Abstract: Stereoselective Synthesis of Alcohols. Part 34. Towards an Understanding of Cram/anti‐Cram Selectivity on Addition of Crotylboronates to α‐Methylbutyraldehyde.

ChemInform (1991)

Reinhard W. Hoffmann Heinrich Brinkmann Gernot Frenking

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

10.1002/chin.199109119

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Citations (0)

CCDC 951807: Experimental Crystal Structure Determination

The Cambridge Structural Database (2014)

Fabian Dielmann Diego M. Andrada Gernot Frenking Guy Bertrand

Crystal (programming language)

10.5517/cc10yfgv

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Aluminum−Nitrogen Rings and Cages with Organic Handles: A Theoretical Study

The Journal of Physical Chemistry A (2009)

Cong Tai Trinh Alexey Y. Timoshkin Gernot Frenking

The structures and stability of monomeric and oligomeric compounds resulting from the elimination of 2 mol of HBr from the AlBr3en complex have been studied theoretically at the B3LYP/LANL2DZ(d,p) level of theory. Two series of the ring and cage oligomer compounds were considered: imino [AlBrNCH2CH2NH2]n, n = 1−4, 6 (In), and isomeric amido [AlBrNHCH2CH2NH]n, n = 1−3 (A′n), species. In all cases the amido isomers are 95−295 kJ mol−1 more stable compared to their imino counterpairs. Intramolecular donor−acceptor interactions play an important role in the stabilization of the structure. Possible pathways of the polymerization have also been explored. Although the generation of the oligomers via HBr elimination in the gas phase is predicted to be thermodynamically unfavorable, operation of such reactions in the condensed phase is feasible. Substitution of bromine by hydrogen makes H2 elimination reactions thermodynamically favorable. This opens a perspective for the synthesis of novel ladder-type oligomers with a continuous (AlN)n core supported by C2H4 balustrade and imino cages with C2H4 handles.

Oligomer

Acceptor

10.1021/jp805904e

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Citations (7)

Nichtorthogonale Dilithium-1,3-diborataallene mit planar-tetrakoordinierten Kohlenstoffatomen

Angewandte Chemie (2001)

Yüksel Şahin Michael Hartmann Gertraud Geiseler Dieter Schweikart Christian Balzereit

Um bis zu 36° weichen die Ebenen aus den endständigen B-Gerüstatomen und ihren Nachbarn (ipso-C-Atomen) bei den Tetraaryl-1,3-diborataallenen in den Kontaktionentripeln 1 von der für Allene charakteristischen Orthogonalität ab. Die sterische Hinderung zwischen ortho-Methylgruppen, die durch Wechselwirkungen zwischen den Lithium-Gegenionen und den π-Elektronen der Arylringe induziert wird, und die leichte Verdrillbarkeit des Grundgerüsts sind die Ursachen der ungewöhnlichen Geometrien. Ar=2,3,5,6-Tetramethylphenyl u. a.

Dilithium

Allene

10.1002/1521-3757(20010716)113:14<2725::aid-ange2725>3.0.co;2-h

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Citations (7)

Dativeversuselectron-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

Physical Chemistry Chemical Physics (2018)

Tao Yang Diego M. Andrada Gernot Frenking

Quantum chemical calculations using ab initio methods at the CCSD(T)/def2-TZVPP level and density functional theory using BP86 and M06-2X functionals in conjunction with def2-TZVPP basis sets have been carried out on the title molecules. The calculated energies suggest that the N-oxides R3NO with R = F, Cl are lower in energy than the amine isomers R2NOR, but the latter form is more stable than the N-oxides when R = H, Me, Ph. In contrast, the phosphane oxides R3PO are always more stable than the phosphanyl isomers R2NOR except for the parent system with R = H, where the two isomers are close in energy. The energy decomposition analysis suggests that the best description of the N-O bond in N-oxides R3NO depends on the nature of the substituent R. The halogen systems F3NO and Cl3NO and the triphenyl species Ph3NO possess dative bonds R3N→O, which are enhanced by R3N←O π backdonation. The contribution of the π backdonation is only 10% of the total orbital interactions ΔEorb in Ph3NO, but it amounts to ∼22% of ΔEorb in F3NO and Cl3NO. The N-O bonds H3NO and Me3NO are better described in terms of electron-sharing single bonds between charged fragments R3N+-O-, which are supported by modest R3N+←O- π backdonation that comprise 13-16% of ΔEorb. In contrast, all phosphane oxides R3PO are best depicted with electron-sharing single bonds between charged fragments R3P+-O-, which are significantly supported by R3P+←O- π backdonation contributing 22-32% of ΔEorb.

Atoms in molecules

10.1039/c8cp00951a

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Citations (38)