Search Results - "Uggla, Rolf"

Adduct formed by chromium trioxide and zwitterionic quinolinic acid by Sundberg Markku, Uggla Rolf, Sillanpää Reijo, Zborowski Krzysztof, Sánchez-González Angel, Matikainen Jorma, Kaltia Seppo, Hase Tapio

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Analysis of crystallographic and structural data of polymeric iron-alkaline metal complexes by Melnik Milan, Sundberg Markku Rafael, Uggla Rolf

“…The present review covers almost 100 polymeric MFe (M=Li, Na, K, Rb, and Cs) compounds. The metal atoms of group 1 as partners with iron atom build up complex…”
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Comparison of the structural parameters in copper(II) acetate-type dimers containing distorted square pyramidal CuO4O and CuO4N chromophores by Sundberg, Markku R., Uggla, Rolf, Melník, Milan

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Nature of intramolecular interactions in hypercoordinate C-substituted 1,2-dicarba- closo-dodecaboranes with short P⋯P distances by Sundberg, Markku R., Uggla, Rolf, Viñas, Clara, Teixidor, Francesc, Paavola, Sari, Kivekäs, Raikko

“…Experimental and computational evidence show that there is short intramolecular distance between two phosphorus atoms in 1,2-(diphenylphosphino)-1,2-dicarba-…”
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Conformational diversity of dichromate dianion by Sundberg, Markku R., Valo, Jaana, Uggla, Rolf, Melnik, Milan

“…Analysis of the available experimental structures for a dichromate dianion in ICSD (Inorganic Crystal Structure Database) and CSD (Cambridge Structural…”
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Aurophilicity−Coordination Interplay in the Design of Cyano-Bridged Nickel(II)−Gold(I) Bimetallic Assemblies:  Structural and Computational Studies of the Gold(I)−Gold(I) Interactions by Colacio, Enrique, Lloret, Francesc, Kivekäs, Raikko, Suárez-Varela, José, Sundberg, Markku R, Uggla, Rolf

“…Two polymorphic cyano-bridged Au(I)−Ni(II) bimetallic complexes of formulas [Ni(en)2Au(CN)2][Au(CN)2] (1) and [Ni(en)2{Au(CN)2}2] (2) have been prepared from…”
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Plasticity of the five-membered chelate ring in [PdCl 2(1,2-(PR 2) 2-1,2-C 2B 10H 10)] complexes (R = H or iPr) by Sundberg, Markku R., Paavola, Sari, Viñas, Clara, Teixidor, Francesc, Uggla, Rolf, Kivekäs, Raikko

“…Gradient-corrected density functional theory applied to 1,2-diphosphino-1,2-dicarba- closo-dodecaborane, 1,2-(PH 2) 2-1,2-C 2B 10H 10, and its respective PdCl…”
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Multiple Bonding in Four-Coordinated Titanium(IV) Compounds by Dobado, J. A, Molina, Uggla, Rolf, Sundberg, Markku R

“…Theoretical description (MP2/6-311G* and B3LYP/6-311G*) is presented for hypovalent titanium alkoxide model compounds showing linear ∠Ti−O−C angles. This…”
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Effect of hydrogen bonding on the coordination by Sundberg, Markku R, Kivekäs, Raikko, Huovilainen, Pertti, Uggla, Rolf

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Conformational flexibility of the di(1,3-diaminopropane)copper(II) cation Part 3. Structure determination for trans-diaquabis(1,3-diaminopropane-N,N′)copper(II)trans-di(ortho-phthalato-O)bis(1,3-diaminopropane-N,N′)cuprate(II) monohydrate and DFT calculations for the trans-diaquabis(1,3-diaminopropane-N,N′)copper(II) cation2 by Sundberg, Markku R., Uggla, Rolf

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Conformational flexibility of the di(1,3-diaminopropane)copper(II) cation Part 3. Structure determination for trans-diaquabis(1,3-diaminopropane- N, N′)copper(II) trans-di( ortho-phthalato- O)bis(1,3-diaminopropane- N, N′)cuprate(II) monohydrate and DFT calculations for the trans-diaquabis(1,3-diaminopropane- N, N′)copper(II) cation 2 by Sundberg, Markku R., Uggla, Rolf

“…The structure of trans-diaquabis(1,3-diaminopropane- N, N′)copper(II) trans-di( ortho-phthalato- O)bis(1,3-diaminopropane- N, N′)-cuprate(II) dihydrate was…”
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Effect of hydrogen bonding on the coordination: Part 2. Semi-coordination in trans-di(salicylato)bis(1,3-diaminopropane- N, N’)copper(II) by Sundberg, Markku R, Kivekäs, Raikko, Huovilainen, Pertti, Uggla, Rolf

“…The crystal and molecular structure of trans-di( ortho-hydroxobenzoato -O)bis(1,3-diaminopropane- N, N′)copper(II) [ ortho-hydroxobenzoate=salicylate…”
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Correlation of the 31 P NMR Chemical Shift with the Position of Bond Critical Points in Some Phosphorothionates by Kuivalainen, Tuula, El-Bahraoui, Jaouad, Uggla, Rolf, Kostiainen, Risto, Sundberg, Markku R.

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Conformational isomerism and effect of complexation on carboxylate group in two crystallographically independent coordination units of trans-di(4-chlorobenzoato- O)bis(1,3-diaminopropane- N, N′)cobalt(III) 4-chlorobenzoate dihydrate by Sundberg, Markku R., Uggla, Rolf, Kivekäs, Raikko

“…The crystal and molecular structure of the title compound was determined by single crystal X-ray methods. The compound crystallises in the triclinic system,…”
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Correlation of the 31P NMR Chemical Shift with the Position of Bond Critical Points in Some Phosphorothionates by Kuivalainen, Tuula, El-Bahraoui, Jaouad, Uggla, Rolf, Kostiainen, Risto, Sundberg, Markku R

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Intermolecular Interactions in p-Chlorobenzoic Acid Dimers by Sundholm, Dage, Sundberg, Markku R, Uggla, Rolf

“…The molecular structure of the parallel orientation of the p-chlorobenzoic acid dimer has been studied at the second-order Møller−Plesset level using…”
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Boronic acids as molecular sensors NBO analysis and 13C chemical shifts as tools for evaluation of DFT geometry optimization of complexes of diphenylmethane 3,3′-diboronic acids and glucose by Uggla, Rolf, Sundberg, Markku R., Nevalainen, Vesa

“…Studies on the formation of bisdentate complexes of diphenylmethane-3,3′-diboronic acid 1 and glucose were carried out using DFT methods. A 1,2- and…”
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Conformational flexibility of the di (1,3-diaminopropane)- copper (II) cation Part 2. Structure determination for aqua-di(1,3-diaminopropane- N,N′)-copper (II) dichloride and chlorodi (1,3-diaminopropane- N,N'⊃-copper(II) chloride methanol solvate and DF17 calculations for aqua-di (1,3-diaminopropane- N,N′) copper (II) cation by Sundberg, Markku R., Sillanpää, Reijo, Uggla, Rolf

“…The structures of aqua-di(1,3-diaminopropane- N,N′)copper (II) dichloride ( 1) and chloro-di(1,3-diaminopropane- N N′) copper (II) chloride methanol solvate (…”
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Comparison of the structural parameters in copper(II) acetate-type dimers containing distorted square pyramidal CuO 4O and CuO 4N chromophores by Sundberg, Markku R., Uggla, Rolf, Melník, Milan

“…A survey of 123 of copper(II) acetate-type dimeric complex units, determined by X-ray diffraction in the crystal structures containing either a CuO 4O or CuO…”
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On the role of π-stacking in aldehyde complexes of N-sulphonylated oxazaborolidinones used as chiral catalysts by Uggla, Rolf, Nevalainen, Vesa, Sundberg, Markku R.

“…Aldehyde complexes of Lewis acidic chiral N-sulphonylated oxazaborolidinones ( e.g. 1) were studied by means of density functional methods at the JMW/DNP…”
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