1997
Dr. rer. nat.
Universität Erlangen-Nürnberg

1997-2000
Assistent an der TU Braunschweig

2000
Akademischer Rat 
Institut für Organische Chemie
TU Braunschweig

Seit 2001
Lehrauftrag "Computer Chemie"
TU Braunschweig
 
 

IuK Beauftragter (FB3)

EDV Koordinator
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Research Interests:

Physical Organic Chemistry; Computational Chemistry
 
 
 

References:

J. Grunenberg and R. Herges, "Prediction of Chromatographic Retention Values (Rm) and Partition Coefficients (logPoct) Using a Combination of Semiempirical Seld-Consistent Reaction Field Calculations and Neural Networks"
J. Chem. Inf. Comput. Sci.1995, 35, 905-912.(pdf)

J. Grunenberg and R. Herges, "Calculation of molecular vibrations: Selective scaling factors for semiempirical force constants"
J. Comput. Chem. 1997, 18, 2050-2059. (abstract)

R. Bianchini, C. Chiappe, D. Lenoir, P. Lemmen, R. Herges, J. Grunenberg, "Spectroscopic Detection and Theoretical Studies of a 2:1 Bromine-Olefin p-Complex"
Angew. Chem. 1997, 109, 1340-1343, Angew. Chem. Int. Ed. Engl. 1997, 36, 1284-1287.

I. Neda, A. Vollbrecht, J. Grunenberg, R. Schmutzler, "Functionalization of the Periphery of Calix[4]resorcinarenes with P(III)-Containing Substituents via Hydroxy, Trimethylsiloxy, and Ethoxy-Tethered Trimethylsiloxy Intermediates"
Heteroatom Chemistry 1998, 6, 553-558.

J. Grunenberg, N. Goldberg, "How Strong is The Gallium-Gallium Triple Bond? Theoretical Compliance Matrices as a Probe For Intrinsic Bond Strengths"
J. Am. Chem. Soc. 2000122(25), 6045-6047. (pdf)

W. Uhl, F. Breher, J. Grunenberg, A. Lützen, W. Saak, "New Carbaalanes Containing Cluster of Aluminium and Carbon Atoms; Quantumchemical Characterization"
Organometallics 2000 19(22), 4536-4543

R. Herges, M. Deichmann, J. Grunenberg, G. Bucher, "A Highly Correlated Conformational Motion of a Tubelike Fully Conjugated Hydrocarbon"
Chem. Phys. Lett. 2000, 327, 149-152. [abstract]

S.A.Katsyuba, J.Grunenberg, R.Schmutzler, "Vibrational Spectra and Conformational Isomerism of Calixarene Building Blocks. I. Diphenylmethane"
J. Molec. Struct. 2001,  559,  315-320

R. Streubel, U. Schiemann, P. G. Jones, J. Grunenberg, H.-M. Schiebel, D. Gudat, "Synthesis of the First 1,3,4-Triphosphole Complex"
Angew. Chem. Int. Ed. Engl.2001, 40, 2471-2474. (pdf)

J. Grunenberg, "Intrinsic Bond Strengths of Multiple Gallium-Gallium bonds: A Compliance Matrix Study Using MCSCF Wave Functions and Hybrid Density Functionals"
J. Chem. Phys. 2001, 115, 6360-6364.(pdf)

J. Grunenberg, "Intrinsic Bond Strengths of Multiple C-C, Si-Si and C-Si Bonds"
Angew. Chem. Int. Ed. Engl. 2001, 40,4027-4029 (pdf), Angew. Chem. 2001, 113, 4150-4152.(pdf)

W. Uhl, F. Breher, B. Neumüller, A. Lützen, W. Saal, J. Grunenberg, "Reactions of Carbaalanes with HBF4 and HCl: A m₃ Bridging Fluorine Atom in (AlEt)₇(C=CHPh)₂ (CCH₂Ph)₃ (m₃-F) versus a Terminal Chlorine Atome in (AlMe)₇(C=CHPh)₂ (AlCl) (CCH₂Ph)₅ H"
Organometallics 2001, 20, 5478-5484

S.A.Katsyuba, A.V.Chernova, R.Schmutzler, J.Grunenberg,"Vibrational spectra and conformational isomerism of calixarene building blocks. II. Bis (2-hydroxyphenyl) methane"
J. Chem. Soc., Perkin Trans. 2 2002, 67-71.(abstract)

W.-W. du Mont, T. Gust, E. Seppälä, C. Wismach, P. G. Jones, L. Ernst, J. Grunenberg, H. C. Marsmann, " Unusual PC Bond Cleavage by Double Dichlorosilylene Transfer from Trichlorosilyltrimethylgermane to P-Phosphanyl Phosphaalkenes"
Angew. Chem. Int. Ed. Engl. 2002, 41, 3829-3832.

J. Grunenberg, H.Hopf, M.Bahadir, A.Pieper, R.Vogt, H.Wichmann "Identification of Individual PCT Congeners Using Theoretical Vibrational Spectra"
Chem. Phys. Lett. 2002, 366, 1-8.

A. Hätzelt, S. Laschat, P. G. Jones, J. Grunenberg " Diastereoselective Alkylation of Tricyclic Lactim Ethers, Eur. J. Org. Chem. 2002, 3936-3943.

M. Bahadir, A. Pieper, R. Vogt and H. Wichmann, J. Grunenberg and H. Hopf, "Isomer Specific Synthesis using the Suzuki-Coupling: Polychlorinated Terphenyls (PCT) as Standards for Environmetal Analysis
Chemosphere, 2002 in press

J. Grunenberg, R. Streubel, G. v. Frantzius and W. Marten
"The strongest bond in the universe? Accurate calculation of compliance matrices for the ions N2H+, HCO+ and HOC+ "
J. Chem. Phys. 2003 in press

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