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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Woollins, John Derek
University of St Andrews
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (18/18 displayed)
- 2021Synthesis and structural characterization of Zn2+, Cd2+ and Hg2+ complexes with tripyrrolidinophosphine chalcogenidescitations
- 2021Synthetic and structural study of peri-substituted phosphine-arsinescitations
- 2019Synthesis, characterization, and structural properties of mercury(II), cadmium(II) and zinc(II) tripiperidinophosphine chalcogenide complexescitations
- 2018Synthesis, spectroscopic, and structural characterization of new functionalized gem-bisphosphonate complexes of tin(IV) chloride
- 2018A study of through-space and through-bond JPP coupling in a rigid nonsymmetrical bis(phosphine) and its metal complexescitations
- 2017Dye-sensitized solar cellscitations
- 2016Varying the flexibility of the aromatic backbone in half sandwich rhodium(III) dithiolato complexescitations
- 2016Synthesis, characterization and structures of cadmium(II) and mercury(II) complexes with bis(dipiperidinylphosphino)methylamine dichalcogenidescitations
- 2015Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anionscitations
- 2015Rhodium(III) and iridium(III) half-sandwich complexes with tertiary arsine and stibine ligandscitations
- 2015Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interactioncitations
- 2015Synthesis and properties of the heterospin (S1 = S2 = 1/2) radical-ion salt bis(mesitylene)molybdenum(I) [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidylcitations
- 2012Structure-Property Relationships in PtII Diimine-Dithiolate Nonlinear Optical Chromophores Based on Arylethylene-1,2-dithiolate and 2-Thioxothiazoline-4,5-dithiolatecitations
- 2004Ruthenium(II) carbonyl complexes containing tertiary phosphine chalcogenide ligands of the type Ph 3 PX; X=O, S, Secitations
- 2003Phosphorus-selenium heterocycles from the tetraphospholane (PhP) 4 CH 2
- 2001Synthesis of chelate complexes and the dichalcogen derivatives of the unsymmetrical diphosphine ligand Ph 2 PNHC 6 H 4 PPh 2 . Molecular Structure of [PtCl 2 (Ph 2 PNHC 6 H 4 PPh 2 )]·0.75dmso·0.75CHCl 3citations
- 2001Bridge cleavage of transition metal dimers by chelating S,N ligands. X-ray crystal structure of [Pd{SPPh 2 N=C(NH2)NH-S,N}(3-C3H5)]
- 2001The Evolution, Chemistry and Applications of Homogeneous Liquid Redox Sulfur Recovery Techniques
Places of action
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article
Structure-Property Relationships in PtII Diimine-Dithiolate Nonlinear Optical Chromophores Based on Arylethylene-1,2-dithiolate and 2-Thioxothiazoline-4,5-dithiolate
Abstract
<p>Eighteen new [PtII(N?N)(S?S)] complexes [2340; N?N = diimine: 2,2'-bipyridine, 1,10-phenanthroline and alkyl/aryl-substituted derivatives; S?S = arylethylene-1,2-dithiolate (R-edt2: R = phenyl, 2-naphthyl, 1-pyrenyl), N-substituted 2-thioxothiazoline-4,5-dithiolate (R-dmet2: R = methyl, ethyl, phenyl)] have been synthesized and characterized by spectroscopic (UV/Vis/NIR, fluorescence) and electrochemical (CV) measurements. Single-crystal X-ray diffraction analysis allowed structural characterization of five of the complexes (2729, 31, and 37). Structural modifications capable of affecting the nature and energies of the frontier molecular orbitals in these systems were assessed and hybrid DFT and time-dependent (TD) DFT calculations, carried out both in the gas phase and in the presence of several solvents (CH2Cl2, CHCl3, CH3CN, acetone, thf, dmf, dmso, and toluene), allowed the trends observed in the voltammetric data and in the energies of the peculiar solvatochromic visible absorption bands to be rationalized. In addition, to evaluate the second-order nonlinear optical properties of 2340, first static hyperpolarizability values beta tot were calculated both in the gas phase and in CH2Cl2, the highest values being obtained for [Pt(N?N)(Me-dmet)] complexes (N?N = 4,4'-diphenyl-2,2'-bipyridine and 4,7-diphenyl-1,10-phenanthroline; beta tot = 691 x 1030 and 604 x 1030 esu, respectively).</p>