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Pipsa Hirva

Pipsa Hirva

Senior Researcher

Research and Teaching, docent for Molecular modeling

Department of Chemistry, Faculty of Science, Forestry and Technology

pipsa.hirva@uef.fi | +358 50 331 0829

0503310829
050 3310829
050 331 0829
+358 50 331 0829
+35850 331 0829
050 3310 829
+358 50 3310 829
+35850 3310 829
+358 50 3310829
+35850 3310829
+358503310829

Information Publications

Research area includes molecular modeling and computational chemistry, especially transition metal complexes and their intra- and intermolecular interactions in solid state.

Research groups

Molecular modelling research group 01.01.1984 -
Organometallic synthesis

Keywords

chemistry computational chemistry functional materials inorganic chemistry molecular modeling

Publications

81 items

The Mechanical Properties of Geopolymers from Different Raw Materials and the Effect of Recycled Gypsum
Korhonen, Henna; Timonen, Juha; Suvanto, Sari; Hirva, Pipsa; Mononen, Kirsi; Jääskeläinen, Sirpa. 2023. Inorganics. 11:
Solvent directs the dimensionality of Cu-dicyanoimidazoles
Hirva, Pipsa; Jääskeläinen, Sirpa; Gayfullina, Rezeda; Korhonen, Henna; Koshevoy, Igor O.. 2022. Solid state sciences. 128:
Synthesis and Theoretical Studies of Aromatic Azaborines
Hirva, Pipsa; Turhanen, Petri; Timonen, Juri M. 2022. Organics. 3: 196-209
The effect of halogens in the coordination of 2-pyridinethioamide to gold centers
Pääkkönen, Iiris; Jääskeläinen, Sirpa; Koshevoy, Igor O; Hirva, Pipsa. 2022. Polyhedron. 226:
Diversifying the luminescence of phenanthro-diimine ligands in zinc complexes
Temerova, Diana; Kisel, Kristina S; Eskelinen, Toni; Melnikov, Alexei S; Kinnunen, Niko; Hirva, Pipsa; Shakirova, Julia R; Tunik, Sergey P; Grachova, Elena V; Koshevoy, Igor O. 2021. Inorganic chemistry frontiers. 8: 2549-2560
Noncovalent Axial I...Pt...I Interactions in Platinum(II) Complexes Strengthen in the Excited State
Bulatov, Evgeny; Eskelinen, Toni; Ivanov, Alexander Yu.; Tolstoy, Peter M.; Kalenius, Elina; Hirva, Pipsa; Haukka, Matti. 2021. Chemphyschem. 22: 2044-2049
Photophysics and Excited State Dynamics of Cyclometalated [M(Phbpy)(CN)] (M = Ni, Pd, Pt) Complexes: A Theoretical and Experimental Study
Eskelinen, Toni; Buss, Stefan; Petrovskii, Stanislav K; Grachova, Elena V; Krause, Maren; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A; Koshevoy, Igor O; Hirva, Pipsa. 2021. Inorganic chemistry. 60: 8777-8789
Modulation of metallophilic and Pi-Pi interactions in platinum cyclometalated luminophores with halogen bonding
Koshevoy, Igor O; Sivchik, Vasily; Kochetov, Aleksandr; Eskelinen, Toni; Kisel, Kristina S; Solomatina, Anastasia I; Grachova, Elena V; Tunik, Sergey P; Hirva, Pipsa. 2020. Chemistry: a european journal. 2021; 27: 1787-1794
Vinylimidazole coordination modes to Pt and Au metal centers
Jääskeläinen, Sirpa; Koshevoy, Igor O; Suvanto, Sari; Ryhänen, Tiina; Hirva, Pipsa. 2020. New journal of chemistry. 44: 12762-12770
Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis
Gayfullina, Rezeda; Jääskeläinen, Sirpa; Koshevoy, Igor O; Hirva, Pipsa. 2019. Inorganics. 7: 87
Benzothiazolethione complexes of coinage metals: from mononuclear complexes to clusters and polymers
Jääskeläinen, Sirpa; Koskinen, Laura; Haukka, Matti; Hirva, Pipsa. 2019. Solid state sciences. 97: 105980
Oligophosphine-thiocyanate Copper(I) and Silver(I) Complexes and Their Borane Derivatives Showing Delayed Fluorescence
Chakkaradhari, G; Eskelinen, T; Degbe, C; Belyaev, A; Melnikov, AS; Grachova, EV; Tunik, SP; Hirva, P; Koshevoy, IO. 2019. Inorganic chemistry. 58: 3646-3660
Self-assembly of square planar rhodium carbonyl complexes with 4,4-disubstituted-2,2'-bipyridine ligands
Kolari, Kalle; Laurila, Elina; Chernysheva, Maria; Hirva, Pipsa; Haukka, Matti. 2019. Solid state sciences. 2020; 200: 106103
Chromophore-Functionalized Phenanthro-diimine Ligands and Their Re(I) Complexes
Kisel, KS; Eskelinen, T; Zafar, W; Solomatina, AI; Hirva, P; Grachova, EV; Tunik, SP; Koshevoy, IO. 2018. Inorganic chemistry. 57: 6349-6361
Controlling the crystal growth of potassium iodide with a 1,1'-bis(pyridin-4-ylmethyl)-2,2'-biimidazole ligand (L) - formation of a linear [K4I4L4]n polymer with cubic [K4I4] core units
Bulatova, Margarita; Tatikonda, Rajendhraprasad; Hirva, Pipsa; Bulatov, Evgeny; Sievänen, Elina; Haukka, Matti. 2018. Crystengcomm. 20: 3631-3633
Deciphering the role of the cation in anionic cobaltabisdicarbollide clusters
Zaulet, Adnana; Teixidor, Francesc; Bauduin, Pierre; Diat, Olivier; Hirva, Pipsa; Ofori, Albert; Vinas, Clara. 2018. Journal of organometallic chemistry. 865: 214-225
Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination
Jääskeläinen, Sirpa; Appiah, Sakyibea Nana; Koshevoy, Igo; Hirva, Pipsa. 2018. New journal of chemistry. 42: 3363-3370
Metalated Ir(III) Complexes Based on the Luminescent Diimine Ligands: Synthesis and Photophysical Study
Shakirova, JR; Tomashenko, OA; Galenko, EE; Khlebnikov, AF; Hirva, P; Starova, GL; Su, S-H; Chou, P-T; Tunik, SP. 2018. Inorganic chemistry. 57: 6853-6864
Stability of Dinuclear Phosphane Palladium(III) Complexes: A DFT Approach
Estevan, Francisco; Hirva, Pipsa; Sanau, Mercedes; Angeles Ubeda, Ma. 2018. Organometallics. 37: 2980-2990
Cyanide-assembled d10 coordination polymers and cycles: excited state metallophilic modulation of solid-state luminescence
Koshevoy, IO; Belyaev, A; Eskelinen, T; Dau, TM; Ershova, YY; Melnikov, AS; Tunik, SP; Hirva, P. 2017. Chemistry: a european journal. 2018; 24: 1404-1415
Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom
Ding Xin, Tuikka Matti, Hirva Pipsa, Haukka Matti. 2017. Solid state sciences. 71: 8-13
Linking ReI and PtII Chromophores with Aminopyridines: A Simple Route to Achieve a Complicated Photophysical Behavior
Kisel KS, Melnikov AS, Grachova EV, Hirva P, Tunik SP, Koshevoy IO. 2017. Chemistry: a european journal. 23: 11301-11311
Persistence of oxidation state III of gold in thione coordination
Jääskeläinen Sirpa, Koskinen Laura, Kultamaa Matti, Haukka Matti, Hirva Pipsa. 2017. Solid state sciences. 67: 37-45
Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes
Dau Thuy Minh, Asamoah Benjamin Darko, Belyaev Andrey, Chakkaradhari Gomathy, Hirva Pipsa, Jänis Janne, Grachova Elena V, Tunik Sergey P, Koshevoy Igor O. 2016. Dalton transactions. 45: 14160-14173
Dihalogens as Halogen Bond Donors
Haukka Matti, Hirva Pipsa, Rissanen Kari. Teoksessa: Maharramov Abel M, Mahmudov Kamran T, Kopylovich Maximilian N, Pombeiro Armando JL(toim.) , 2016. Non-covalent Interactions in the Synthesis and Design of New Compounds. s. 187-198. John Wiley & Sons
Fine-tuning halogen bonding properties of diiodine through halogen-halogen charge transfer -extended [Ru(2,2 '-bipyridine)(CO)(2)X-2]center dot I-2 systems (X = Cl, Br, I)
Ding Xin, Tuikka Matti J, Hirva Pipsa, Kukushkin Vadim Yu, Novikov Alexander S, Haukka Matti. 2016. Crystengcomm. 18: 1987-1995
Pyrazole and Pyrazolate as Ligands in the Synthesis and Stabilization of New Palladium(II) and (III) Compounds
Estevan Francisco, Hirva Pipsa, Ofori Albert, Sanaú Mercedes, ¦pec Tanja, Úbeda MaAngeles. 2016. Inorganic chemistry. 55: 2101-2113
Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L]+ Cyclometalated Complex
Sivchik Vasily V, Grachova Elena V, Melnikov Alexei S, Smirnov Sergey N, Ivanov Alexander Yu, Hirva Pipsa, Tunik Sergey P, Koshevoy Igor O. 2016. Inorganic chemistry. 55: 3351-3363
Versatile Coordination Modes in Silver-Imidazolecarbaldehyde Oxime Complexes: Structural and Computational Analysis
Ofori Albert, Suvanto Sonja, Jääskeläinen Sirpa, Koskinen Laura, Koshevoy Igor O, Hirva Pipsa. 2016. Crystal growth and design. 16: 255-264
Benzoato and Thiobenzoato Ligands in the Synthesis of Dinuclear Palladium(III) and -(II) Compounds: Stability and Catalytic Applications
Estevan Francisco, Ibáñez Susana, Ofori Albert, Hirva Pipsa, Sanaú Mercedes, Úbeda Ma Angeles. 2015. European journal of inorganic chemistry. 17: 2822-2832
Halogen bonds with coordinative nature: halogen bonding in a S-I+-S iodonium complex
Koskinen L, Hirva P, Kalenius E, Jääskeläinen S, Rissanen K, Haukka M. 2015. Crystengcomm. 17: 1231-1236
Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds
Koskinen L, Hirva P, Hasu A, Jääskeläinen S, Koivistoinen J, Pettersson M, Haukka M. 2015. Crystengcomm. 17: 2718-2727
Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems
Koskinen Laura, Jääskeläinen Sirpa, Hirva Pipsa, Haukka Matti. 2015. Crystal growth and design. 15: 1160-1167
Weak aurophilic interactions in a series of Au(III) double salts
Chernyshev Alexander N., Chernysheva Maria V., Hirva Pipsa, Kukushkin Vadim Yu, Haukka Matti. 2015. Dalton transactions. 44: 14523-14531
Further orthometalated dinuclear palladium(III) compounds with bridging N, S-donor ligands
Ibanez S, Vrecko DN, Estevan F, Hirva P, Sanau M, Ubeda MA. 2014. Dalton transactions. 43: 2961-2970
Inter- and intramolecular non-covalent interactions in 1-methylimidazole-2-carbaldehyde complexes of copper, silver, and gold
Koskinen L, Jääskeläinen S, Hirva P, Haukka M. 2014. Solid state sciences. 35: 81-87
Role of C-H...Au and aurophilic supramolecular interactions in gold-thione complexes
Koskinen L, Jääskeläinen S, Kalenius E, Hirva P, Haukka M. 2014. Crystal growth and design. 14: 1989-1997
Triazenides as suitable ligands in the synthesis of palladium compounds in three different oxidation states: I, II, and III
Ibanez S, Oresmaa L, Estevan F, Hirva P, Sanau M, Ubeda MA. 2014. Organometallics. 33: 5378-5391
Neutral one-dimensional metal chains consisting of alternating anionic and cationic rhodium complexes
Laurila E, Oresmaa L, Hassinen J, Hirva, P, Haukka M. 2013. Dalton transactions. 42: 395-398
Potential anticancer heterometallic Fe-Au and Fe-Pd agents: initial mechanistic Insights
Lease N, Vasilevski V, Carreira M, de Almeida A, Sanau M, Hirva P, Casini A, Contel M. 2013. Journal of medicinal chemistry. 56: 5806-5818
The geometry of the silver 1,1 '-dibenzyl-2,2 '-biimidazole complexes
Laurila E, Oresmaa L, Kalenius E, Hirva P, Haukka M. 2013. Polyhedron. 52: 1231-1238
Dinuclear palladium(II) and -(III) compounds with O,O-chelating ligands. Room-temperature direct 2&#8209 phenylation of 1&#8209 methylindole
Ibanez, S; Estevan, F; Hirva, P; Sanau, M; Ubeda, MA. 2012. Organometallics. 31: 8098-8108
Metal-metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes
Niskanen, M; Hirva, P; Haukka, M. 2012. Journal of molecular modeling. 18: 1961-1968
Metallophilic interactions in stacked dinuclear rhodium 2,2&#8242 -biimidazole carbonyl complexes
Laurila, A; Tatikonda, R; Oresmaa, L; Hirva, P; Haukka, M. 2012. Crystengcomm. 14: 8401-8408
Concerted Halogen and Hydrogen Bonding in RuI2(H2dcbpy)(CO)2]***I2***(CH3OH)***I2***[RuI2(H2dcbpy)(CO)2]
Tuikka, M., Niskanen, M., Hirva, P., Rissanen, K., Valkonen, A., and Haukka, M.. 2011. Chemical communications. 47: 3427-3429
Dinuclear ortho-metalated palladium(II) compounds with N,N- and N,O-donor bridging ligands. Synthesis of new palladium(III) complexes
Penno, D., Estevan, F., Fernandez, E., Hirva, P., Lahuerta, P., Sanaú, M. & Ubeda, M.A. 2011. Organometallics. 30: 2083-2094
Halogen Bonding - a Key Step in Charge Recombination of the Dye-sensitized Solar Cell
Tuikka, M., Hirva, P., Rissanen, K., Korppi-Tommola, J., and Haukka, M.. 2011. Chemical communications. 47: 4499-4501
Effect of Different Anchoring Groups on the Adsorption of Photoactive Compounds on the Anatase (101) Surface
Pipsa Hirva and Matti Haukka. 2010. Langmuir. 23: 17075-17081
Fragmentation Pathways of [MX2(CO)2(dcbpy)] (M = Ru, Os X = Cl, Br, I dcbpy = 2,2&#8242 -bipyridine-4,4&#8242 -dicarboxylic acid) Complexes
Janne Jänis, Minna Jakonen, Larisa Oresmaa, Pipsa Hirva, Elina Laurila, Liubov Vlasova, Pirjo Vainiotalo and Matti Haukka. 2010. Organometallics. 29: 1070-1078
Metal-Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2¿-biimidazole Carbonyl Complexes
Laurila, E., Oresmaa, L., Niskanen, M., Hirva, P. & Haukka, M. 2010. Crystal growth and design. 10: 3775-3786
Potential cross-linking transition metal complexes (M=Ni, Cu, Zn) in the ligand-modified LNA duplexes
Pipsa Hirva, Anne Nielsen, Andrew D. Bond, and Christine J. McKenzie. 2010. JOURNAL OF PHYSICAL CHEMISTRY. B. 114: 11942-11948
The Effect of N-ligands on the Geometry, Bonding, and Electronic Absorption Properties of Ruthenium Carbonyl Chains
Niskanen, M., Hirva, P. & Haukka, M.. 2010. Physical chemistry chemical physics. 12: 9777-9782
Computational DFT study of ruthenium tetracarbonyl polymer
Niskanen, M., Hirva, P. & Haukka, M.. 2009. J. Chem. Theory Comput.. 5: 1084-1090
Dirhodium(II) Compounds with Bridging Thienyl Phosphines: Studies on Reversible P,C/P,S Coordination
Lloret, J., Estevan, F., Lahuerta, P., Hirva, P., Pérez-Prieto, J. & Sanaú, M.. 2009. Chem. Eur. J.. 15: 7706-7716
Negative ion electrospray ionization mass spectrometry and computational studies on substituted 7-hydroxycoumarins
Timonen, J., Aulaskari, P., Hirva, P. & Vainiotalo, P.. 2009. Eur. J. Mass Spectrom.. 15: 595-603
Computational models for the shuttling motion of the macrocycle in rotaxane-based molecular switches
Pipsa Hirva, Matti haukka, Tapani A. Pakkanen. 2008. J Mol Model. 14: 879-886
DFT Tests for Group 8 Transition Metal Carbonyl Complexes¿
Hirva, P., Haukka, M., Jakonen, M., and Moreno, M.A.. 2008. J Mol Model. 14: 171-181
An Alternative Synthesis Method for [Os(NN)(CO)2X2] Complexes (NN = 2,2' -bipyridine, 4,4' -dimethyl-2,2' -bipyridine: X=Cl, Br, I). Electrochemical and Photochemical Properties and Behavior.
Jakonen M.;Hirva P.;Haukka M.;Chardon-Noblatb S.;Lafolet F.;Chauvin J.;Deronzier A.. 2007. Dalton Transactions. : 3314-3324
Determination of equilibrium constants and computational interaction energies for adducts of [Rh2(RCOO)4-n(PC)n], (n =0-2) with Lewis bases
Hirva P.;Esteban J.;Lloret J.;Lahuerta P.;Pérez-Prieto J.. 2007. Inorganic Chemistry. 46: 2619-2626
Surface-Assisted Synthesis and Behavior of Dimetallic Mixed-Metal Complexes [M2Cl2(-Cl)4(CO)6M(L)2] (M = Ru, Os, M= Fe, Co, L = C2H5OH, H2O ).
Jakonen M.;Hirva P.;Nivajärvi T.;Kallinen M.;Haukka M.. 2007. Eur. J. Inorg. Chem.. : 3497-3508
Acid-promoted rearrangement of the metalated thienyl rings in dirhodium (II) complexes with thienyl phosphines as ligands
Lloret J.;Estevan F.;Lahuerta P.;Hirva P.;Pérez-Prieto J.;Sanaú M.. 2006. Organometallics. 25: 3156-3165
Growth of the metal framework in linear ruthenium and osmium carbonyls
Hirva P.;Haukka M.;Jakonen M.;Pakkanen T.A.. 2006. Inorganica Chimica Acta. 359: 853-862
Isomerization Processes on Mixed o-Metalated-Phosphine/Succinimidato [Rh2(PC5CH4(Ph)2)2(OC4NH4O)2] Complexes. A Sliding Movement of the Succinimidato Ligand.
Esteban J.;Hirva P.;Lahuerta P.;Martinez M.. 2006. Inorganic Chemistry. 45: 8776-8784
Photoinduced synthesis and electrochemical properties of new ruthenium(mono)bipyridine dialkylcyanamide and propionitrile complexes
Bokach N.A.;Haukka M.;Hirva P.;Guedes Da Silva M.F.C.;Kukushkin V.Yu.;Pombeiro A.J.L.. 2006. J.Organomet.Chem.. 691: 2368-2377
Synthesis of dirhodium(II) complexes with several cyclometalated thienylphosphines
Lloret J.;Bieger K.;Estevan F.;Lahuerta P.;Hirva P.;Pérez-Prieto J.;Sanaú M.. 2006. Organometallics. 25: 5113-5121
Effect of copper atoms on the adsorption of ethyl xanthate on a sphalerite surface
Porento;M. & Hirva;P.. 2005. Surface Sci.. 576:
Structural and Electronic Trends in /ortho/-metalated Dirhodium(II) Complexes
Hirva;P.;Lahuerta;P. .;Pérez-Prieto;J.. 2005. Theor. Chem. Acc.. 113:
A theoretical study on the interaction of sulfhydryl surfactants with a covellite (001) surface
Porento;M.;Hirva;P.. 2004. Surface Science. 555: 75-82
Ab initio quantum chemical studies of cluster models for doped anatase and rutile TiO2
Karvinen S;Hirva P & Pakkanen TA. 2003. J. Mol. Struct. Theochem. 626: 271-277
Ab initio study on thermal degradation reactions of polycarbonate.
Katajisto J;Pakkanen TT;Pakkanen TA;Hirva P. 2003. J. Mol. Struct. Theochem. 634: 305-310
Bioavailability of sediment-associated PCDD/Fs and PCDEs: relative importance of contaminant and sediment characteristics, and biological factors
Lyytikäinen M.;Hirva P.;Minkkinen P.;Hämäläinen H.;Rantalainen A.-L.;Mikkelsson P.;Paasivirta J. and Kukkonen J.V.K.. 2003. Environ. Sci. Technol.. 37: 3926-3934
The adsorption interaction of anionic sulfhydryl collectors on different PbS(100) surface sites.
Porento M & Hirva P. 2003. Surf. Sci.. 539: 137-144
Ab initio study on the interaction of anionic collectors with calcite and dolomite surfaces
Hirva Pipsa;Tikka H-K. 2002. Langmuir. : 5002-5006
Interaction of photoactive cis(CO)-trans(I)-Ru(4,4' -dicarboxylate-2,2' -bipyridine)(CO) 2I2 with anatase (l 0 l) surface
Haukka Matti;Hirva Pipsa. 2002. Surf. Sci.. 511: 373-378
Theoretical studies on the interaction of anionic collectors with Cu+, Cu2+, Zn2+ and Pb2+ ions
Porento Mika;Hirva Pipsa. 2002. Theor. Chem. Acc.. 107: 200-205
Adsorption and stepwise decarbonylation of Re2(CO)10 on [gamma]-alumina: a theoretical study
Räty Jarkko;Suvanto Mika;Hirva Pipsa;Pakkanen Tapani. 2001. Surface Science. 492: 243-248
Geometry Prediction of Bridged Zirconocene Dichlorides by Quantum Chemical Methods.
Linnolahti Mikko;Hirva Pipsa;Pakkanen Tapani A.. 2001. Journal of Computational Chemistry. 22: 51-64
Interaction of Co(CO)x with surface sites of SiO2: theoretical study
S. Suvanto;P. Hirva;T.A. Pakkanen. 2000. Surface Science. 465: 277-285
Cluster Models for Calcite Surfaces: Ab Initio Quantum Chemical Studies
Ruuska;Henna; Hirva;Pipsa; Pakkanen;Tapani A. 1999. JOURNAL OF PHYSICAL CHEMISTRY. B. 103: 6734-6740
Nuclear Magnetic Resonance Imaging - a Potential Method for Analysis of Bone Material
Timonen J;Alvila L;Hirva P;Pakkanen TT. 1998. J. Mater. Sci. Mater. Med.. 9: 187
FTIR Studies on Ru3(CO)12/2,2'-bipyridine/SiO2 Catalyst and Related Ruthenium Bipyridine Surface Complexes
Haukka M;Venäläinen T;Hirva P;Pakkanen TA. 1996. J. Organomet. Chem.. 506: 163-175

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Pipsa Hirva

Research groups

Keywords

The Mechanical Properties of Geopolymers from Different Raw Materials and the Effect of Recycled Gypsum

Solvent directs the dimensionality of Cu-dicyanoimidazoles

Synthesis and Theoretical Studies of Aromatic Azaborines

The effect of halogens in the coordination of 2-pyridinethioamide to gold centers

Diversifying the luminescence of phenanthro-diimine ligands in zinc complexes

Noncovalent Axial I...Pt...I Interactions in Platinum(II) Complexes Strengthen in the Excited State

Photophysics and Excited State Dynamics of Cyclometalated [M(Phbpy)(CN)] (M = Ni, Pd, Pt) Complexes: A Theoretical and Experimental Study

Modulation of metallophilic and Pi-Pi interactions in platinum cyclometalated luminophores with halogen bonding

Vinylimidazole coordination modes to Pt and Au metal centers

Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis

Benzothiazolethione complexes of coinage metals: from mononuclear complexes to clusters and polymers

Oligophosphine-thiocyanate Copper(I) and Silver(I) Complexes and Their Borane Derivatives Showing Delayed Fluorescence

Self-assembly of square planar rhodium carbonyl complexes with 4,4-disubstituted-2,2'-bipyridine ligands

Chromophore-Functionalized Phenanthro-diimine Ligands and Their Re(I) Complexes

Controlling the crystal growth of potassium iodide with a 1,1'-bis(pyridin-4-ylmethyl)-2,2'-biimidazole ligand (L) - formation of a linear [K4I4L4]n polymer with cubic [K4I4] core units

Deciphering the role of the cation in anionic cobaltabisdicarbollide clusters

Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination

Metalated Ir(III) Complexes Based on the Luminescent Diimine Ligands: Synthesis and Photophysical Study

Stability of Dinuclear Phosphane Palladium(III) Complexes: A DFT Approach

Cyanide-assembled d10 coordination polymers and cycles: excited state metallophilic modulation of solid-state luminescence

Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom

Linking ReI and PtII Chromophores with Aminopyridines: A Simple Route to Achieve a Complicated Photophysical Behavior

Persistence of oxidation state III of gold in thione coordination

Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes

Dihalogens as Halogen Bond Donors

Fine-tuning halogen bonding properties of diiodine through halogen-halogen charge transfer -extended [Ru(2,2 '-bipyridine)(CO)(2)X-2]center dot I-2 systems (X = Cl, Br, I)

Pyrazole and Pyrazolate as Ligands in the Synthesis and Stabilization of New Palladium(II) and (III) Compounds

Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L]+ Cyclometalated Complex

Versatile Coordination Modes in Silver-Imidazolecarbaldehyde Oxime Complexes: Structural and Computational Analysis

Benzoato and Thiobenzoato Ligands in the Synthesis of Dinuclear Palladium(III) and -(II) Compounds: Stability and Catalytic Applications

Halogen bonds with coordinative nature: halogen bonding in a S-I+-S iodonium complex

Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds

Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems

Weak aurophilic interactions in a series of Au(III) double salts

Further orthometalated dinuclear palladium(III) compounds with bridging N, S-donor ligands

Inter- and intramolecular non-covalent interactions in 1-methylimidazole-2-carbaldehyde complexes of copper, silver, and gold

Role of C-H...Au and aurophilic supramolecular interactions in gold-thione complexes

Triazenides as suitable ligands in the synthesis of palladium compounds in three different oxidation states: I, II, and III

Neutral one-dimensional metal chains consisting of alternating anionic and cationic rhodium complexes

Potential anticancer heterometallic Fe-Au and Fe-Pd agents: initial mechanistic Insights

The geometry of the silver 1,1 '-dibenzyl-2,2 '-biimidazole complexes

Dinuclear palladium(II) and -(III) compounds with O,O-chelating ligands. Room-temperature direct 2&#8209 phenylation of 1&#8209 methylindole

Metal-metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes

Metallophilic interactions in stacked dinuclear rhodium 2,2&#8242 -biimidazole carbonyl complexes

Concerted Halogen and Hydrogen Bonding in RuI2(H2dcbpy)(CO)2]***I2***(CH3OH)***I2***[RuI2(H2dcbpy)(CO)2]

Dinuclear ortho-metalated palladium(II) compounds with N,N- and N,O-donor bridging ligands. Synthesis of new palladium(III) complexes

Halogen Bonding - a Key Step in Charge Recombination of the Dye-sensitized Solar Cell

Effect of Different Anchoring Groups on the Adsorption of Photoactive Compounds on the Anatase (101) Surface

Fragmentation Pathways of [MX2(CO)2(dcbpy)] (M = Ru, Os X = Cl, Br, I dcbpy = 2,2&#8242 -bipyridine-4,4&#8242 -dicarboxylic acid) Complexes

Metal-Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2¿-biimidazole Carbonyl Complexes

Potential cross-linking transition metal complexes (M=Ni, Cu, Zn) in the ligand-modified LNA duplexes

The Effect of N-ligands on the Geometry, Bonding, and Electronic Absorption Properties of Ruthenium Carbonyl Chains

Computational DFT study of ruthenium tetracarbonyl polymer

Dirhodium(II) Compounds with Bridging Thienyl Phosphines: Studies on Reversible P,C/P,S Coordination

Negative ion electrospray ionization mass spectrometry and computational studies on substituted 7-hydroxycoumarins

Computational models for the shuttling motion of the macrocycle in rotaxane-based molecular switches

DFT Tests for Group 8 Transition Metal Carbonyl Complexes¿

An Alternative Synthesis Method for [Os(NN)(CO)2X2] Complexes (NN = 2,2' -bipyridine, 4,4' -dimethyl-2,2' -bipyridine: X=Cl, Br, I). Electrochemical and Photochemical Properties and Behavior.

Determination of equilibrium constants and computational interaction energies for adducts of [Rh2(RCOO)4-n(PC)n], (n =0-2) with Lewis bases

Surface-Assisted Synthesis and Behavior of Dimetallic Mixed-Metal Complexes [M2Cl2(-Cl)4(CO)6M(L)2] (M = Ru, Os, M= Fe, Co, L = C2H5OH, H2O ).

Acid-promoted rearrangement of the metalated thienyl rings in dirhodium (II) complexes with thienyl phosphines as ligands

Growth of the metal framework in linear ruthenium and osmium carbonyls

Isomerization Processes on Mixed o-Metalated-Phosphine/Succinimidato [Rh2(PC5CH4(Ph)2)2(OC4NH4O)2] Complexes. A Sliding Movement of the Succinimidato Ligand.

Photoinduced synthesis and electrochemical properties of new ruthenium(mono)bipyridine dialkylcyanamide and propionitrile complexes

Synthesis of dirhodium(II) complexes with several cyclometalated thienylphosphines

Effect of copper atoms on the adsorption of ethyl xanthate on a sphalerite surface

Structural and Electronic Trends in /ortho/-metalated Dirhodium(II) Complexes

A theoretical study on the interaction of sulfhydryl surfactants with a covellite (001) surface

Ab initio quantum chemical studies of cluster models for doped anatase and rutile TiO2

Ab initio study on thermal degradation reactions of polycarbonate.

Bioavailability of sediment-associated PCDD/Fs and PCDEs: relative importance of contaminant and sediment characteristics, and biological factors

The adsorption interaction of anionic sulfhydryl collectors on different PbS(100) surface sites.

Ab initio study on the interaction of anionic collectors with calcite and dolomite surfaces

Interaction of photoactive cis(CO)-trans(I)-Ru(4,4' -dicarboxylate-2,2' -bipyridine)(CO) 2I2 with anatase (l 0 l) surface

Theoretical studies on the interaction of anionic collectors with Cu+, Cu2+, Zn2+ and Pb2+ ions

Adsorption and stepwise decarbonylation of Re2(CO)10 on [gamma]-alumina: a theoretical study

Concerted Halogen and Hydrogen Bonding in RuI2(H2dcbpy)(CO)2]I2(CH3OH)I2[RuI2(H2dcbpy)(CO)2]