Dept. of Biochemistry & Organic Chemistry



Publications of the Ottosson group, February 15, 2007
1: Calculation of 29Si Chemical Shifts as a Probe for Molecular and Electronic Structure
D. Cremer, L. Olsson, and H. Ottosson
J. Mol Struct. (Theochem) 1994, 313, 91-109.
2: Properties of R3SiX Compounds and R3Si+ Ions ? Do Silylium Ions Exist in Solution?
L. Olsson, C.-H. Ottosson, and D. Cremer
J. Am. Chem. Soc. 1995, 117, 7460-7479.
3: Reaction of 1,1-Dimethylsilene with Formaldehyde
M. Trommer, W. Sander, C.-H. Ottosson, and D. Cremer
Angew. Chem. Int. Ed. Engl. 1995, 34, 929-931.
4: 4,4-Dimethyl-bicyclo[3.1.0]hexa-1(6),2-diene ? A Highly Strained 1,3-Bridged Cyclopropene
R. Albers, W. Sander, C.-H. Ottosson, D. Cremer
Chem. Eur. J. 1996, 2, 967-973.
5: Solvated Silylium Cations: Structure Determination by NMR Spectroscopy and the
NMR/Ab initio/IGLO Method
M. Arshadi, D. Johnels, U. Edlund, C.-H. Ottosson, and D. Cremer
J. Am. Chem. Soc. 1996, 118, 5120-5131.
6: Intramolecularly Stabilized Phenylsilyl and Anthrylsilyl Cations
C.-H. Ottosson and D. Cremer
Organometallics 1996, 15, 5495-5501.
7: Nature of Si(SiMe3)3+ Cation in Aromatic Solvents
C.-H. Ottosson and D. Cremer*
Organometallics 1997, 15, 5495-5501.
8: Tris(9-borabicyclo[3.3.1]nonyl)silylium Cation: A Suggestion for a Weakly Coordinated Silylium Cation in Solution
C.-H. Ottosson, K. Szabo, D. Cremer
Organometallics 1997, 16, 2377.
9:Water Clusters Studied by Electrospray Mass Spectrometry
G. Hulthe, G. Stenhagen, O. Wennerström, C.-H. Ottosson
J. Chromatography A 1997, 777, 155-165.
10: A Crystallographic and Computational Study of a Diethyl Ether Complex of Fluorenyllithium
M. Håkansson, C.-H. Ottosson, A. Boman, and D. Johnels
Organometallics 1998, 17, 1208-1214.
11: Triplet State Z/E-Photoisomerizations of Polyenes: A Comparison of ab Initio and Density Functional Methods
M. Brink, H. Jonson, and C.-H. Ottosson
J. Phys. Chem. A 1998, 102, 6513 - 6524.
12: Theory as a Viable Partner for Experiment? The Quest for Trivalent Silylium Ions in Solution
C.-H. Ottosson, E. Kraka, and D. Cremer in Pauling's Legacy: Modern Modelling of the
Chemical Bond. Eds. Z.B. Maksic, W.J. Orville-Thomas, Elsevier, Amsterdam. 1999, Chap. 9.
13: Conformers of n-Si6Me14: Ab initio, Molecular Mechanics, and Additive Increment Methods
C.-H. Ottosson and J. Michl
J. Phys. Chem. A 2000, 104, 3367 - 3380.
14: The Five Favored Backbone Conformations of n-Si4Et10: Cisoid, Gauche, Ortho,
Deviant, and Transoid
H. A. Fogarty, C.-H. Ottosson, and J. Michl
J. Mol. Struct. (TheoChem) 2000, 506, 243 - 255.
15: Conformations of Oligosilanes with Ethyl and Methyl Substituents
H. A. Fogarty, C.-H. Ottosson, and J. Michl
J. Mol. Struct. 2000, 556, 105 - 121.
16:Characteristics of the Electronic Structure of Diabatically and Adiabatically
Isomerizing Olefins in the T1 State
M. Brink, H. Möllerstedt, and C.-H. Ottosson
J. Phys. Chem. A 2001, 105, 4071 - 4083.
17: The Role of Ion-Molecule Pairs in Solvolysis Reactions: Nucleophilic Additon of Water to a Tertiary Allylic Carbocation
Zhi Sheng Jia, Henrik Ottosson, Xiaofeng Zeng, and Alf Thibblin
J. Org. Chem. 2002, 67, 182 - 187.
18: Peralkylated Tetrasilanes: Conformational Dependence of the Photoelectron Spectrum
H. A. Fogarty, H. Tsuji, D. E. David, C.-H. Ottosson, J. Michl, H. Tsuji, K. Tamao, M. Ehara, and H. Nakatsuji
J. Phys. Chem. A 2002, 106, 2369-2373.
19: Evidence for Formation of Silenes Strongly Influenced by Reversed Si=C Bond Polarity
I. El-Sayed, T. Guliashvili, R. Hazell, A. Gogoll, and H. Ottosson
Org. Lett. 2002, 4, 1915-1918.
20: Solution Phase, Solid State and Computational Structural Studies of
2-Aryl-3-bromoquinolin-4(1H)-one Derivatives
Malose J. Mphahlele, Manuel A. Fernandes, Ahmed M. El-Nahas, Henrik Ottosson, Stephen M. Ndlovu, Happy M. Sithole, Bongumusa S. Dladla and Danita De Waal
J. Chem. Soc., Perkin Trans. II 2002, 2159.
21: The First Isolable 2-Silenolate
Tamaz Guliashvili, Ibrahim El-Sayed, Andreas Fischer, and Henrik Ottosson
Angewandte Chemie Int. Ed. 2003, 42, 1640 - 1642.
22: Thermolytic Formation and Trapping of Strongly Reverse-Polarized Silenes
Henrik Ottosson, Tamaz Guliashvili, and Ibrahim El-Sayed,
In Organosilicon Chemistry: From Molecules to Materials, Eds.: N. Auner,
Wiley Interscience, 2003. Vol. 5, pp 78 - 81.
23: Zwitterionic Silenes: Interesting Goals for Synthesis?
Henrik Ottosson
Chem. Eur. J. 2003, 9, 4144 - 4155.
24: The Disilane Chromophore: Photoelectron and Electronic Spectra of Hexaalkyldisilanes and 1,(n+2)-Disila[n.n.n]propellanes
D. Casher, H. Tsuji, A. Sano, M. Katkevics, A. Toshimitsu, K. Tamao, M. Kubota, T. Kobayashi, C. H. Ottosson, D. David, and J. Michl
J. Phys. Chem. A 2003, 107, 3559 - 3566.
25: Reverse Si=C Bond Polarization as a Means for Stabilization of Silabenzenes:
A Computational Investigation
Ahmed M. El-Nahas, Markus Johansson, and Henrik Ottosson
Organometallics 2003, 22, 5556 - 5566.
26: On the Origin of cis Selectivity in the Cyclisation of N-Protected 2-Substituted
3-Aza-5-Hexenyl Radicals: A Density Functional Study
D. Shanks, S. Berlin, M. Besev, H. Ottosson, and L. Engman
J. Org. Chem. 2004, 69, 1487 - 1491.
27: An Improved Pathway to 6,6-Disubstituted Fulvenes
Khalil Chajara and Henrik Ottosson
Tetrahedron. Lett. 2004, 45, 6741 - 6744.
28: Fulvenes, Fulvalenes, and Azulene: Are They Aromatic Chameleons?
Helene Möllerstedt, Raul Crespo, Carmen Piqueras, and Henrik Ottosson
J. Am. Chem. Soc. 2004, 126, 13938 - 13939.
29: Heavy Group 14 (1,n+2)-Dimetallabicyclo[n.n.n]alkanes and (1,n+2)-Dimetalla-[n.n.n]propellanes: Are They All Realistic Synthetic Targets?
Niclas Sandström and Henrik Ottosson
Chem. Eur. J. 2005, 11, 5067 - 5079.
30: Z/E-Photoisomerizations of Olefins with 4n- or (4n + 2)-Electron Substituents: Zigzag Variations in Olefin Properties along the T1 State Energy Surfaces
Haruhisa Kato, Maria Brink, Helene Möllerstedt, Marie Carmen Piqueras, Raul Crespo, and Henrik Ottosson
J. Org. Chem. 2005, 70, 9495 - 9504.
31: In Search of 1,3-Disila/germa/stannabicyclo[1.1.1]pentanes with Short Bridgehead-bridgehead Distances and Low Ring Strain Energies
Julius Tibbelin, Niclas Sandström and, Henrik Ottosson
Silicon Chemistry 2005, 3, 165 - 173.
32: Silylenes, Silenes, and Disilenes: Novel Silicon Based Reagents for Organic Synthesis?
Henrik Ottosson and Patrick G. Steel
Chem. Eur. J. 2006, 12, 1576 - 1585.
33: Design Principles for alpha-Tocopherol Analogues
David Shanks, Håkan Frisell, Henrik Ottosson, and Lars Engman
Org. Biomol. Chem. 2006, 4, 846 - 852.
34: Substituent Effects on the Basicity of 3,7-Diazabicyclo[3.3.1]nonanes
Lauri Toom, Agnes Kutt, Ivari Kaljurand, Ivo Leito, Henrik Ottosson, Helena Grennberg, Adolf Gogoll
J. Org. Chem. 2006, 71, 7155 - 7164.
35: Calculation of relative energies of permethylated oligosilane conformers in vapour and in alkane solution
Heather A. Fogarty, Henrik Ottosson and Josef Michl
J. Phys. Chem. B 2006, 110, 25485 - 25495.
36: A computational investigation of the retrocyclization reaction of silacyclo-but-2-enes to 1-silabuta-1,3-dienes: Focus on the effect of the substituents
Tong Hui, Anders Eklöf, Patrick Steel and Henrik Ottosson
J. Mol. Struct. (Theochem), 2007, accepted for publication
37: Electronic excitations of 1,4-disilyl substituted 1,4-disilabicycloalkanes: A MS-CASPT2 study of the influence of cage size
Niclas Sandström, Mari Carmen Piqueras, Henrik Ottosson and Raul Crespo
J. Phys. Chem. A 2007, accepted for publication
38: Silenes: Connectors between classical alkenes and non-classical heavy alkenes
Henrik Ottosson and Anders M. Eklöf
Coord. Chem. Rev. 2007, submitted
39: Carbamylsilanes: High-yielding reagents for base and catalyst free silyl protection of alcohols with benign and easily removable side-products
Julius Tibbelin, Tamaz, Guliashvili, Jiyeon Ryu, and Henrik Ottosson
Tetrahedron Lett. 2007, submitted.
40: Scope and Limitations of Baird's Theory on Triplet State Aromaticity: Applications to the Tuning of Singlet-Triplet Energy Gaps in Fulvenes
Kristine Kilså, Khalil Chajara, Mari Carmen Piqueras, Raul Crespo, Haruhisa Kato, Daniel Muthas, and Henrik Ottosson
Chem. Eur. J. Submitted
41: Characterization of the chemisorption of methylsilane on an Au(1,1,1) surface from the L-edge spectrum: A theoretical study using the four-component static exchange approximation
Ulf Ekström, Henrik Ottosson, and Patrick Norman
J. Phys. Chem. A submitted
42: Heavy-Core Staffanes. Molecular Wires with an Unusual ?-Conjugation
Niclas Sandström, Joshua R. Smith, and Henrik Ottosson
J. Am. Chem. Soc. Submitted
43: Triplet state aromaticity of 4npi-Electron monocycles: Analysis of the bifurcation in the pi-contribution to the electron localization function
Heather A. Fogarty, Sebastien Villaume, and and Henrik Ottosson
Manuscript to be submitted, ChemPhysChem
