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2. Effect of ligand asymmetry on the structure and reactivity of CpMLL'(allyl) (Cp = cyclopentadienyl, M = metal, L = ligand) and -(ethylene) complexes

Author

Roald Hoffmann, Birgitte E. R. Schilling, and J. W. Faller

Subjects
Ethylene, Ligand, Chemistry, media_common.quotation_subject, General Chemistry, Photochemistry, Biochemistry, Asymmetry, Catalysis, Metal, chemistry.chemical_compound, Colloid and Surface Chemistry, Cyclopentadienyl complex, visual_art, Polymer chemistry, visual_art.visual_art_medium, Reactivity (chemistry), media_common
Published
1979

4. Phase Analysis Studies in the System Cu2O--CuO--Ta2O5

Author

Kjell Taugbøl, Tapani A. Pakkanen, Birgitte E. R. Schilling, Tapani Venäläinen, Ragnhild Seip, Tuula T. Pakkanen, and Pierre Ndalamba Wa Ilunga

Subjects
Chemistry, General Chemical Engineering, Analytical chemistry, Phase analysis
Published
1983

5. Microwave Spectrum, Intramolecular Hydrogen Bonding, Dipole Moment and Centrifugal Distortion of 2,2-Difluoroethanol

Author

Sven J. Cyvin, Ole-Anders Braathen, Eivind Kvåle, Harald Møllendal, Knut Faegri, Jan Almlöf, Birgitte E. R. Schilling, Hans Peter Lüthi, Kjell Taugbøl, Ragnhild Seip, and K.-M. Marstokk

Subjects
Bond dipole moment, Dipole, Computational chemistry, Chemistry, Hydrogen bond, General Chemical Engineering, Intramolecular force, Distortion, Chemical polarity, Transition dipole moment, Molecular physics, Microwave
Published
1980

8. The molecular structure of a germene GeR2 (r = CH(Sime3)2) by gas electron diffraction; self-consistent-field molecular orbital calculations on stannene, SnH2, and distannene, Sn2H4

Author

Arne Haaland, Michael F. Lappert, Birgitte E. R. Schilling, Torgny Fjeldberg, Hans V. Volden, and Andrew J. Thorne

Subjects
chemistry.chemical_classification, Field (physics), Gas electron diffraction, Plane (geometry), Organic Chemistry, Ab initio, Biochemistry, Bond length, Inorganic Chemistry, chemistry.chemical_compound, Crystallography, Molecular geometry, Monomer, Planar, chemistry, Computational chemistry, Materials Chemistry, Molecule, Molecular orbital, Physical and Theoretical Chemistry, Inorganic compound
Abstract

Ge[CH(SiMe 3 ) 2 ] 2 is a V-shaped monomer in the gas phase at ca. 430 K, with GeC 204(2) pm and angle CGeC = 107(2)°; ab initio MO calculations on Sn 2 H 4 , with better than double ζ basis, indicate that (i) a non-planar trans -folded conformation is more stable than a planar structure by 26 kJ mol −1 , and (ii) the optimal angle between the SnSn vector and an SnH 2 plane is 46°.

Published
1984

9. Subvalent Group 4B metal alkyls and amides. Part 9. Germanium and tin alkene analogues, the dimetallenes M2R4[M = Ge or Sn, R = CH(SiMe3)2]: X-ray structures, molecular orbital calculations for M2H4, and trends in the series M2R′4[M = C, Si, Ge, or Sn; R′= R, Ph, C6H2Me3-2,4,6, or C6H3Et2-2,6]

Author

Birgitte E. R. Schilling, Michael F. Lappert, K. Mark Thomas, Arne Haaland, Torgny Fjeldberg, Peter B. Hitchcock, Andrew J. Thorne, and David E. Goldberg

Subjects
Bond length, Crystallography, Chemistry, Stereochemistry, X-ray crystallography, Ab initio, Molecular orbital, General Chemistry, Crystal structure, Lone pair, Bond-dissociation energy, Dissociation (chemistry)
Abstract

X-Ray structures of the isomorphous centrosymmetric crystalline Ge2R4 and Sn2R4[R = CH(SiMe3)2] reveal a trans-folded C2h M2C4 framework, with a fold angle θ of 32° for M = Ge and 41° for M = Sn, but no twist of the MC2 planes about the M–M axis. The M–M distance [2.347(2)A for Ge and 2.768(1)A for Sn] is slightly shorter (4% for M = Ge, 1.5% for M = Sn) than in the tetrahedral element, M∞. The conformation of each MR2 moiety in M2R4 approximates to planar syn,anti(cf. Ca. syn,syn in gaseous MR2), and the four ligands R– are oriented in a ‘paddle-wheel’ fashion. There is consequently an asymmetry in the M–C bonding in M2R4 as shown (data for M = Sn in square brackets) by variations in M–C and M–C′(A), 1.979(9) and 2.042(8)[2.207(5) and 2.225(6)]; M′MC and M′MC′(°),113.7(3) and 122.3(2)[112.0(1) and 119.4(1)°]; individual MCSi angles (°), 110.0(4)[110.2(3)], 113.9(4)[109.3(3)], 119.1(4)[119.1(2)], and 121.8(4)[118.9(2)]. The average M–C bond lengths are comparable but the CMC angles are wider in M2R4 than those previously found for gaseous MR2. Ab initio molecular orbital calculations with better than double zeta basis on the model compounds M2H4 show that (i)trans-folded equilibrium structures are more stable than planar by 13 kJ mol–1(θ= 40°) for M = Ge and 26 kJ mol–1(θ= 46°) for Sn; (ii) the M–M bond distance is 2.30 A for Ge and 2.71 A for Sn; and (iii) the M–M dissociation energy is 130 kJ mol–1 for Ge and 90 kJ mol–1 for Sn. These energies are about half the experimental M–M single-bond dissociation energies of H3GeGeH3 or Me3MMMe3. The decreasing strength of M–M bonding in the series M2R′4[M = C, Si, Ge, or Sn; R′= R, Ph, C6H2Me3-2,4,6, or C6H3Et2-2,6] or, more generally, M2X4(X = R′ or H) with increasing atomic number of M, as well as the increasing stability of the trans-folded relative to planar structures, is attributed to the increasing inertness of the electron lone pair in the MX2(X = R′ or H) monomer, which in turn is reflected in an increasing singles → triplet excitation energy.

Published
1986

11. Structural Studies of Gadolinium Gallium Garnet

Author

Knut Faegri, Arne Haaland, Ragnhild Seip, Birgitte E. R. Schilling, Per-Erik Werner, Judit Sasvári, and Kjell Taugbøl

Subjects
chemistry.chemical_compound, Nuclear magnetic resonance, Chemistry, General Chemical Engineering, Gadolinium gallium garnet
Published
1983

12. Calcium Phosphate Crystallization. IV. Kinetics of Heterogeneous Nucleation of Tetracalcium Monohydrogen Phosphate on Brushite Crystals

Author

Ragnhild Seip, Martin Nilsson, Kjell Taugbøl, Susan Jagner, Oľga Švajlenová, H. E. Lundager Madsen, and Birgitte E. R. Schilling

Subjects
General Chemical Engineering, Kinetics, Nucleation, chemistry.chemical_element, Mineralogy, Calcium, Phosphate, law.invention, chemistry.chemical_compound, chemistry, Chemical engineering, law, Brushite, Crystallization
Published
1983

13. Isotope Effects in Proton-transfer Reactions. VIII. Isotope Effects in the Proton-transfer from (--)-Menthone to Methoxide Ion in Methanol and Methanol--Dimethyl Sulfoxide Solutions

Author

Ragnhild Seip, Bo Anhede, Lars Baltzer, Jan Almlöf, Eivind Kvåle, Nils-Åke Bergman, Birgitte E. R. Schilling, Sven J. Cyvin, Knut Faegri, Hans Peter Lüthi, and Kjell Taugbøl

Subjects
chemistry.chemical_compound, Proton, Chemistry, Dimethyl sulfoxide, General Chemical Engineering, Kinetic isotope effect, Inorganic chemistry, Methanol, Methoxide, Photochemistry, Menthone, Ion
Published
1982

14. Thermodynamics of Swelling and Partition Equilibria in Gels

Author

Birgitte E. R. Schilling, Arne Haaland, Francesco Palmisano, Terje Østvold, Hans Vink, Ragnhild Seip, and Kjell Taugbøl

Subjects
Chemistry, General Chemical Engineering, medicine, Partition (politics), Thermodynamics, Swelling, medicine.symptom
Published
1983

17. Microwave Spectrum, Conformation, Intramolecular Hydrogen Bonding, Dipole Moment, 14N Nuclear Quadrupole Coupling Constants, Barrier to Internal Rotation and Centrifugal Distortion Constants of N-Methyl Propargyl Amine

Author

Harald Møllendal, Arne Haaland, K.-M. Marstokk, Birgitte E. R. Schilling, and Hans V. Volden

Subjects
Coupling constant, Dipole, Deuterium, Chemistry, Hydrogen bond, General Chemical Engineering, Intramolecular force, Propargyl, Quadrupole, Physical chemistry, Amine gas treating, Photochemistry
Published
1985

19. Structural Characterization of the Triiron Undecacarbonyl Anion [HFe3(CO)11]- in the [N(PPh3)2]+ Salt and Locating the Site of the Bridging Hydrogen

Author

Eero Iiskola, Tuula T. Pakkanen, Kjell Taugbøl, Ragnhild Seip, Tapani Venäläinen, Tapani A. Pakkanen, and Birgitte E. R. Schilling

Subjects
chemistry.chemical_classification, Bridging (networking), Hydrogen, Chemistry, General Chemical Engineering, Inorganic chemistry, Polymer chemistry, Salt (chemistry), chemistry.chemical_element, Characterization (materials science), Ion
Published
1983

24. Molecular Structure and Bonding in Cyclopentadienylgermanium Chloride, (C5H5)GeCl, the Cyclopentadienylgermanium Cation, [(C5H5)Ge]+, and Germanium Dichloride, GeCl2, Investigated by Ab Initio Molecular Orbital Calculations

Author

Olav Vikane, Arne Haaland, Birgitte E. R. Schilling, Hitoshi Ohtaki, and Sverre Hauge

Subjects
chemistry.chemical_classification, Cyclopentadiene, General Chemical Engineering, Ab initio, Chloride, Germanium dichloride, chemistry.chemical_compound, Hydrocarbon, chemistry, Computational chemistry, medicine, Molecule, Molecular orbital, Inorganic compound, medicine.drug
Published
1984

26. Tentative Assignments of Fundamental Vibrations of Thio- and Selenoamides. VIII. 1,2-Dimethyl-3-pyrazolidineselone, a Cyclic Selenohydrazide. Selenation of the Thioamide Group in Theory and Practice

Author

Peter Klaeboe, Eivind Kvåle, Kjell Taugbøl, Sven J. Cyvin, Uffe Anthoni, Hans Peter Lüthi, Per Hostrup Nielsen, Knut Faegri, Jan Almlöf, Birgitte E. R. Schilling, and Gunner Borch

Subjects
chemistry.chemical_classification, chemistry, Group (periodic table), Stereochemistry, General Chemical Engineering, Thio, Thioamide
Published
1982

28. Hydrogen Isotope Disproportionation and Fractionation Equilibria in H2O--D2O Solvent System. I. Fractionation of Deuterium between Trihalomethanes and Water

Author

Jan Almlöf, K.-M. Marstokk, Birgitte E. R. Schilling, Hans Peter Lüthi, Eivind Kvåle, Kjell Taugbøl, Harald Møllendal, Sven J. Cyvin, Pirketta Scharlin, Ragnhild Seip, and Knut Faegri

Subjects
Solvent system, Deuterium, Chemistry, General Chemical Engineering, Hydrogen isotope, Radiochemistry, Inorganic chemistry, Disproportionation, Fractionation, Mass-independent fractionation, Equilibrium fractionation
Published
1982

34. Zero Surface Tension (ZST) Theory of Micellization

Author

Sven J. Cyvin, Ragnhild Seip, Knut Faegri, Eivind Kvåle, Hans Peter Lüthi, Kjell Taugbøl, Jan Almlöf, Birgitte E. R. Schilling, K.-M. Marstokk, Torben Smith Sørensen, and Harald Møllendal

Subjects
Surface tension, Chemistry, General Chemical Engineering, Zero (complex analysis), Thermodynamics
Published
1982

37. The Structure of the Tetraiodothallate(III) Ion in its Tetrabutylammonium Salt and in a Dichloromethane Solution

Author

Magnus Sandström, Sven J. Cyvin, Peter L. Goggin, Eivind Kvåle, Knut Faegri, Vladimir Lutsko, Jan Almlöf, Hans Peter Lüthi, Birgitte E. R. Schilling, Kjell Taugbøl, and Julius Glaser

Subjects
chemistry.chemical_classification, chemistry.chemical_compound, chemistry, General Chemical Engineering, Inorganic chemistry, Salt (chemistry), Dichloromethane, Ion
Published
1982

38. CpM(CO)2(ligand) (Cp = cyclopentadienyl, M = metal) complexes

Author

Roald Hoffmann, Dennis L. Lichtenberger, and Birgitte E. R. Schilling

Subjects
Metal, Colloid and Surface Chemistry, Cyclopentadienyl complex, Chemistry, Ligand, visual_art, Polymer chemistry, visual_art.visual_art_medium, General Chemistry, Photochemistry, Biochemistry, Catalysis
Published
1979

39. Electronic structure of M4(CO)12Hn and M4Cp4Hn complexes

Author

Herbert D. Kaesz, Roald Hoffmann, Birgitte E. R. Schilling, D. Michael P. Mingos, and Robert Bau

Subjects
Crystallography, Colloid and Surface Chemistry, Chemistry, General Chemistry, Electronic structure, Biochemistry, Catalysis
Published
1978

40. Acid Catalyzed Decomposition of Ethyl Vinyl Ether in 2,2,2-Trifluoroethanol

Author

Tapani A. Pakkanen, Tapani Venäläinen, Tuula T. Pakkanen, Robert Eliason, Birgitte E. R. Schilling, Ragnhild Seip, and Kjell Taugbøl

Subjects
chemistry.chemical_compound, 2,2,2-Trifluoroethanol, chemistry, General Chemical Engineering, Acid catalyzed, Ethyl vinyl ether, Organic chemistry, Decomposition
Published
1983

42. The Solubility of Hydrocarbons in Water

Author

Aase Hvidt, Tapani A. Pakkanen, Tuula T. Pakkanen, Tapani Venäläinen, Birgitte E. R. Schilling, Ragnhild Seip, and Kjell Taugbøl

Subjects
General Chemical Engineering
Published
1983

43. The Crystal Structure of Hexakis(dimethylsulfoxide)zinc(II) Perchlorate and the Structure of the Hexakis(dimethylsulfoxide)zinc(II) Ion in Dimethylksulfoxide Solution

Author

Ingmar Persson, Jan Almlöf, Jørgen Carlé, P. H. Nielsen, Jan Almløf, Knut Fægri, Jr., Eivind Kvåle, Hans P. Lüthi, Birgitte E. R. Schilling, Kjell Taugbøl, and Sven J. Cyvin

Subjects
Perchlorate, chemistry.chemical_compound, chemistry, General Chemical Engineering, Inorganic chemistry, chemistry.chemical_element, Zinc, Crystal structure, Ion
Published
1982

44. Microwave Spectrum, Conformation and Intramolecular Hydrogen Bonding of 1-Cyclopropylethanol

Author

Arne Haaland, Hans V. Volden, K.-M. Marstokk, Harald Møllendal, and Birgitte E. R. Schilling

Subjects
chemistry.chemical_compound, chemistry, Hydrogen bond, General Chemical Engineering, Intramolecular force, Spectrum (functional analysis), Rotational transition, Organic chemistry, Alcohol, Rotational spectroscopy, Photochemistry, Microwave
Published
1985

47. 43Ca NMR Relaxation Times and Quadrupole Coupling Constants for Some Small Calcium Complexes

Author

Manuel Valiente, Eivind Kvåle, Kjell Taugbøl, Sven J. Cyvin, Knut Faegri, Jan Almlöf, Hans Peter Lüthi, Birgitte E. R. Schilling, Per Hostrup Nielsen, Torbjörn Drakenberg, and Ignasi Puigdomenech

Subjects
Coupling constant, Nuclear magnetic resonance, Chemistry, General Chemical Engineering, Quadrupole, chemistry.chemical_element, Transverse relaxation-optimized spectroscopy, Calcium
Published
1982

48. A Calorimetric Study of Copper(II) Chloride Complexes in Aqueous Solution

Author

Hans Peter Lüthi, Eivind Kvåle, Sven J. Cyvin, Robert Arnek, Kjell Taugbøl, Manuel Valiente, Knut Faegri, Per Hostrup Nielsen, Jan Almlöf, Birgitte E. R. Schilling, and Ignasi Puigdomenech

Subjects
chemistry.chemical_compound, Aqueous solution, Chemistry, General Chemical Engineering, Copper(II) chloride, Nuclear chemistry
Published
1982

50. Ein Bindungsmodell für Aminocarbin‐Komplexe von Übergangsmetallen

Author

Dietmar Neugebauer, Andreas Motsch, Ulrich S. Schubert, Peter Hofmann, Helmut Fischer, and Birgitte E. R. Schilling

Subjects
Inorganic Chemistry, Metal, chemistry.chemical_compound, Transition metal, Chemistry, Ligand, Stereochemistry, visual_art, visual_art.visual_art_medium, Carbyne
Abstract

Durch Vergleich der Strukturen von [trans-Ph3P(CO)4CrCNEt2]BF4(3),mer-Br(PPh3)(CO)3CrCNEt2(4) und [(CO)5CrCNEt2]BF4(5) mit den bereits bekannten Strukturen von trans-Br(CO)4CrCNEt2(1) und trans-Ph3Sn(CO)4CrCNEt2(2) wird der Einflus des variierenden Metallkomplex-Fragments auf die Bindungsparameter des Carbin-Liganden CNEt2 untersucht. Extended-Huckel-MO-Berechnungen an Modellen und die Analyse der Fragment-Orbital-Wechselwirkungen zwischen MLn-System und Aminocarbin-Ligand dienen zur Diskussion der Bindungsverhaltnisse. In allen Komplexen ist die Aminogruppe mit der Cr-Ccarbin-Bindung konjugiert. Durch die Art des zum Carbin-Rest trans-standigen Liganden wird das Ausmas an Konjugation verandert. Fur cis-standige Liganden mussen auch noch andere Einflusse diskutiert wurden. A Bonding Model of Transition Metal Aminocarbyne Complexes By comparison of the structures of [trans-PH3(CO)4CrCNEt2]BF4(3), mer-Br(CO)4CrCNEt2(4), and [(CO)5CrCNEt2]BF4(5) with the known structures of trans-Br(CO)4CrCNEt2(1) and trans-Ph3Sn(CO)4CrCNEt2(2) the influence of the varying metal fragment on the bonding parameters of the carbyne ligand CNEt2 is investigated. Extended-Huckel-MO calculations on models and an analysis of fragment orbital interactions between the MLn system and the aminocarbyne ligand serve a discussion of the bonding. In each complex the amino group is in conjugation with the Cr-Ccarbyne bond. The extent of conjugation is influenced by the ligand trans to the carbyne group. For cis ligands additional influences are discussed.

Published
1981

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