{ "types" : { "Bookmark" : { "pluralLabel" : "Bookmarks" }, "Publication" : { "pluralLabel" : "Publications" }, "GoldStandardPublication" : { "pluralLabel" : "GoldStandardPublications" }, "GoldStandardBookmark" : { "pluralLabel" : "GoldStandardBookmarks" }, "Tag" : { "pluralLabel" : "Tags" }, "User" : { "pluralLabel" : "Users" }, "Group" : { "pluralLabel" : "Groups" }, "Sphere" : { "pluralLabel" : "Spheres" } }, "properties" : { "count" : { "valueType" : "number" }, "date" : { "valueType" : "date" }, "changeDate" : { "valueType" : "date" }, "url" : { "valueType" : "url" }, "id" : { "valueType" : "url" }, "tags" : { "valueType" : "item" }, "user" : { "valueType" : "item" } }, "items" : [ { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2b4c93cb022a3db564f28703648227d20/huebleriac", "tags" : [ "complex","complex;gold","complexation","crystal","geometry","gold","imidazolyl","imidazolylhydroxymethane","imidazolylmethoxymethane","ketone","optimized","prepn","structure","structure;imidazolyl" ], "intraHash" : "b4c93cb022a3db564f28703648227d20", "interHash" : "5365de764e13c4a07d3b1c9843257c21", "label" : "Dichlorogold(III) complexes of bis(1-methyl-2-imidazolyl)ketone and related ligands: Geometrical and electronic structures", "user" : "huebleriac", "description" : "", "date" : "2022-06-15 11:26:56", "changeDate" : "2022-06-15 09:26:56", "count" : 3, "pub-type": "article", "journal": "Polyhedron", "year": "2006", "url": "", "author": [ "Ece Bulak","Orkan Sarper","Akbey Dogan","Falk Lissner","Thomas Schleid","Wolfgang. Kaim" ], "authors": [ {"first" : "Ece", "last" : "Bulak"}, {"first" : "Orkan", "last" : "Sarper"}, {"first" : "Akbey", "last" : "Dogan"}, {"first" : "Falk", "last" : "Lissner"}, {"first" : "Thomas", "last" : "Schleid"}, {"first" : "Wolfgang.", "last" : "Kaim"} ], "volume": "25","number": "13","pages": "2577--2582","abstract": "The ligand bis(1-methyl-2-imidazolyl) ketone (bik) was studied by DFT with respect to the energy min. conformation in the neutral and the anion radical state. The hitherto unknown crystal structure of bik is reported. X-ray diffraction studies of cationic dichlorogold(III) complexes with bik and the related bis(1-methyl-2-imidazolyl)methoxymethane and bis(1-methyl-2-imidazolyl)hydroxymethane ligands showed the DFT-supported N,N'-coordination to form six-membered chelate rings. The LUMO of [(bik)AuCl2]+ was calcd. as Au-Cl centered in agreement with electrochem. and EPR results. [on SciFinder(R)]", "issn" : "0277-5387", "doi" : "10.1016/j.poly.2006.03.008", "bibtexKey": "Bulak.2006" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2d22407d0afc5f3452c1570c14b9c094c/huebleriac", "tags" : [ "complex","complex;cyclic","complex;electronic","complex;optimized","complex;ruthenium","crystal","geometry","iminobenzoquinone","isomeric","nitrosyl","prepn","ruthenium","structure","terpyridine","voltammetry" ], "intraHash" : "d22407d0afc5f3452c1570c14b9c094c", "interHash" : "c6861d905bbb054759a66ba0689833a9", "label" : "An Odd-Electron Complex [Ruk(NOm)(Qn)(terpy)]2+ with Two Prototypical Non-Innocent Ligands", "user" : "huebleriac", "description" : "", "date" : "2022-06-15 11:26:56", "changeDate" : "2022-06-15 09:26:56", "count" : 6, "pub-type": "article", "journal": "Angewandte Chemie, International Edition", "year": "2009", "url": "", "author": [ "Atanu Kumar Das","Biprajit Sarkar","Carole Duboc","Sabine Strobel","Jan Fiedler","Stanislav Zalis","Goutam Kumar Lahiri","Wolfgang. Kaim" ], "authors": [ {"first" : "Atanu Kumar", "last" : "Das"}, {"first" : "Biprajit", "last" : "Sarkar"}, {"first" : "Carole", "last" : "Duboc"}, {"first" : "Sabine", "last" : "Strobel"}, {"first" : "Jan", "last" : "Fiedler"}, {"first" : "Stanislav", "last" : "Zalis"}, {"first" : "Goutam Kumar", "last" : "Lahiri"}, {"first" : "Wolfgang.", "last" : "Kaim"} ], "volume": "48","number": "23","pages": "4242-4245, S4242/1-S4242/6","abstract": "Six combinations of oxidn. states are conceivable for the paramagnetic [Ruk(NOm)(Qn)(terpy)]2+ complex. Single-crystal X-ray diffraction, spectroscopic anal. (IR, EPR at conventional and high frequency), and DFT calcns. establish that it is the iminosemiquinone radical structure that is formed: [Ruk(NOm)(Qn)(terpy)]2+ (k=2+, m=1+, n=1-). [on SciFinder(R)]", "issn" : "1433-7851", "doi" : "10.1002/anie.200900767", "bibtexKey": "Das.2009b" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/203cef2280b0a591f005ea1d23701b3d2/huebleriac", "tags" : [ "EPR","IR","TCNE","UV","Vis;DFT","bond","complex","coordination","crystal","cyano","geometry","mol","nitrogen","optimized","pentacarbonyltungsten","reassessment;TCNE","sigma","spectroelectrochem","structure" ], "intraHash" : "03cef2280b0a591f005ea1d23701b3d2", "interHash" : "cf59c020e099b8fb97df6001ecc46248", "label" : "Structural Reassessment of [W(CO)5(TCNE)]: N (s) Coordination Instead of an Olefin (p) Complex", "user" : "huebleriac", "description" : "", "date" : "2022-06-15 11:26:56", "changeDate" : "2022-06-15 09:26:56", "count" : 3, "pub-type": "article", "journal": "Organometallics", "year": "2012", "url": "", "author": [ "Martina Bubrin","Michael J. Krafft","Lisa Steudle","Ralph Huebner","John S. Field","Stanislav Zalis","Wolfgang. Kaim" ], "authors": [ {"first" : "Martina", "last" : "Bubrin"}, {"first" : "Michael J.", "last" : "Krafft"}, {"first" : "Lisa", "last" : "Steudle"}, {"first" : "Ralph", "last" : "Huebner"}, {"first" : "John S.", "last" : "Field"}, {"first" : "Stanislav", "last" : "Zalis"}, {"first" : "Wolfgang.", "last" : "Kaim"} ], "volume": "31","number": "17","pages": "6305--6311","abstract": "The blue title compd., long assumed to be an olefin complex on the basis of an apparently single unresolved CN stretching band in the IR spectrum, has been identified by expt. and through DFT anal. as a s complex with the tungsten atom coordinated to one of the nitrile N centers. The previously reported data are reinterpreted in light of the new structural assignment, and spectroelectrochem. results (UV-vis, IR, EPR) are presented. [on SciFinder(R)]", "issn" : "0276-7333", "doi" : "10.1021/om300565q", "bibtexKey": "Bubrin.2012" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/286c527b7b9da6c23b43221e90197fe6a/huebleriac", "tags" : [ "ESR","alkylaminocarbene","aluminum","bivalent","complex","complex;mol","complex;optimized","cyclic","geometry","prepn","spectra;crystal","structure","tetracoordinate" ], "intraHash" : "86c527b7b9da6c23b43221e90197fe6a", "interHash" : "0df9da8e7ecd3ddfe7b50984835c3499", "label" : "Synthesis and characterization of Lewis base stabilized mono- and di-organo aluminum radicals", "user" : "huebleriac", "description" : "", "date" : "2022-06-15 11:26:56", "changeDate" : "2022-06-15 09:26:56", "count" : 3, "pub-type": "article", "journal": "Chemical Communications (Cambridge, United Kingdom)", "year": "2017", "url": "", "author": [ "Subrata Kundu","Soumen Sinhababu","Sayan Dutta","Totan Mondal","Debasis Koley","Birger Dittrich","Brigitte Schwederski","Wolfgang Kaim","A. Claudia Stueckl","Herbert W. Roesky" ], "authors": [ {"first" : "Subrata", "last" : "Kundu"}, {"first" : "Soumen", "last" : "Sinhababu"}, {"first" : "Sayan", "last" : "Dutta"}, {"first" : "Totan", "last" : "Mondal"}, {"first" : "Debasis", "last" : "Koley"}, {"first" : "Birger", "last" : "Dittrich"}, {"first" : "Brigitte", "last" : "Schwederski"}, {"first" : "Wolfgang", "last" : "Kaim"}, {"first" : "A. Claudia", "last" : "Stueckl"}, {"first" : "Herbert W.", "last" : "Roesky"} ], "volume": "53","number": "76","pages": "10516--10519","abstract": "Two cyclic (alkyl)(amino)carbene (cAAC) stabilized mononuclear neutral radicals of aluminum, (cAAC)2Al(Et)R (cAAC = 1-Dipp-3,3,5,5-tetramethyl-2-pyrrolidinylidene; 1, 2; R = Et, Cl) have been synthesized by reaction of cAAC with EtAlRCl and KC8. Compds. 1 and 2 are monoradicals, which were confirmed by EPR measurements to have the spin located on the carbene carbon of one of the cAAC ligands. [on SciFinder(R)]", "issn" : "1359-7345", "doi" : "10.1039/C7CC06358J", "bibtexKey": "Kundu.2017b" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/27c29aa9425016e24a5fd15d50871dc4e/huebleriac", "tags" : [ "bipyridine","carbonyl","complex","complex;cyclic","complex;electronic","complex;optimized","complex;rhenium","crystal","fluorotetracyanoquinodimethane","geometry","prepn","rhenium","structure","tetranuclear","voltammetry" ], "intraHash" : "7c29aa9425016e24a5fd15d50871dc4e", "interHash" : "9ab4dff2ec342a8df5c83da903d28ad1", "label" : "A tetranuclear organorhenium(I) complex of the 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane radical anion, TCNQF4-", "user" : "huebleriac", "description" : "", "date" : "2022-06-15 11:26:56", "changeDate" : "2022-06-15 09:26:56", "count" : 3, "pub-type": "article", "journal": "Dalton Transactions", "year": "2008", "url": "", "author": [ "Amarendra N. Maity","Biprajit Sarkar","Mark Niemeyer","Monika Sieger","Carole Duboc","Stanislav Zalis","Wolfgang. Kaim" ], "authors": [ {"first" : "Amarendra N.", "last" : "Maity"}, {"first" : "Biprajit", "last" : "Sarkar"}, {"first" : "Mark", "last" : "Niemeyer"}, {"first" : "Monika", "last" : "Sieger"}, {"first" : "Carole", "last" : "Duboc"}, {"first" : "Stanislav", "last" : "Zalis"}, {"first" : "Wolfgang.", "last" : "Kaim"} ], "number": "42","pages": "5749--5753","abstract": "The radical complex (μ4-TCNQF4)[Re(CO)3(bpy)]4(PF6)3, as prepd. and isolated from the reaction between TCNQF4 and [Re(CO)3(bpy)(MeOH)](PF6), was studied electrochem. and by IR vibrational spectroscopy, UV-Vis-NIR absorption spectroscopy, and by EPR at 9.5, 190 and 285 GHz. The isotropic g factor of 2.0058, the detectable g anisotropy, and the 185,187Re EPR hyperfine coupling of 0.95 mT for four equiv. metal nuclei support predominant, but not exclusive, spin localization at the bridging ligand. Nitrile and metal carbonyl stretching frequencies as well as the typically structured near IR absorption band lend further support to (TCNQF4-)(ReI)4 as the most appropriate oxidn. state formulation. In comparison to the non-radical complex (μ4-TCNQ)[Re(CO)3(bpy)]4(PF6)4 an X-ray structure anal. of (μ4-TCNQF4)[Re(CO)3(bpy)]4(PF6)3 shows a marginally more twisted (ReNCCCNRe)(C6X4)(ReNCCCNRe) configuration and a different up/down arrangement of the [Re(CO)3(bpy)]+ groups. This first isolation, electrochem., structural and spectroscopic characterization of a discrete tetranuclear radical complex of a TCNQ-type ligand suggests a link between the stability of such materials and the rather small structural changes on ligand-based electron transfer. [on SciFinder(R)]", "issn" : "1477-9226", "doi" : "10.1039/b807977c", "bibtexKey": "Maity.2008" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/265c6f58cb09ed96fd6c308b9bf01d788/itke", "tags" : [ "compatibility","process","produced","knippers","engineering","analysis","gfrp","performance","tests","itke","material","from:petraheim","geometry","beam","automatically","complex","fos","habel","2012","micromechanical","küppers","kuka","tkachenko","gabler","embedded" ], "intraHash" : "65c6f58cb09ed96fd6c308b9bf01d788", "interHash" : "19ff02fff5bd10b97befa31b88318d93", "label" : "Automatically produced GFRP beams with embedded FOS in complex geometry: process, material compatibility, micromechanical analysis, and performance tests", "user" : "itke", "description" : "", "date" : "2020-05-22 14:24:19", "changeDate" : "2020-05-22 12:24:19", "count" : 2, "pub-type": "inproceedings", "booktitle": "SPIE Conference Smart Sensor Phenomena, Technology, Networks + Systems Integr. V","address":"San Diego, USA", "year": "2012", "url": "", "author": [ "Markus Gabler","V. Tkachenko","S. Küppers","G. Kuka","W. Habel","Jan Knippers" ], "authors": [ {"first" : "Markus", "last" : "Gabler"}, {"first" : "V.", "last" : "Tkachenko"}, {"first" : "S.", "last" : "Küppers"}, {"first" : "G.", "last" : "Kuka"}, {"first" : "W.", "last" : "Habel"}, {"first" : "Jan", "last" : "Knippers"} ], "language" : "eng", "bibtexKey": "gabler2012automatically" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/265c6f58cb09ed96fd6c308b9bf01d788/petraheim", "tags" : [ "2012","analysis","automatically","beam","compatibility","complex","embedded","engineering","fos","gabler","geometry","gfrp","habel","itke","knippers","kuka","küppers","material","micromechanical","performance","process","produced","tests","tkachenko" ], "intraHash" : "65c6f58cb09ed96fd6c308b9bf01d788", "interHash" : "19ff02fff5bd10b97befa31b88318d93", "label" : "Automatically produced GFRP beams with embedded FOS in complex geometry: process, material compatibility, micromechanical analysis, and performance tests", "user" : "petraheim", "description" : "", "date" : "2020-05-18 10:24:21", "changeDate" : "2020-06-02 10:10:17", "count" : 2, "pub-type": "inproceedings", "booktitle": "SPIE Conference Smart Sensor Phenomena, Technology, Networks + Systems Integr. V","address":"San Diego, USA", "year": "2012", "url": "", "author": [ "Markus Gabler","V. Tkachenko","S. Küppers","G. Kuka","W. Habel","Jan Knippers" ], "authors": [ {"first" : "Markus", "last" : "Gabler"}, {"first" : "V.", "last" : "Tkachenko"}, {"first" : "S.", "last" : "Küppers"}, {"first" : "G.", "last" : "Kuka"}, {"first" : "W.", "last" : "Habel"}, {"first" : "Jan", "last" : "Knippers"} ], "language" : "eng", "bibtexKey": "gabler2012automatically" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/27c29aa9425016e24a5fd15d50871dc4e/b_schwederski", "tags" : [ "bipyridine","carbonyl","complex","complex;cyclic","complex;electronic","complex;optimized","complex;rhenium","crystal","fluorotetracyanoquinodimethane","geometry","prepn","rhenium","structure","tetranuclear","voltammetry" ], "intraHash" : "7c29aa9425016e24a5fd15d50871dc4e", "interHash" : "9ab4dff2ec342a8df5c83da903d28ad1", "label" : "A tetranuclear organorhenium(I) complex of the 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane radical anion, TCNQF4-", "user" : "b_schwederski", "description" : "", "date" : "2019-07-15 13:41:23", "changeDate" : "2019-07-15 11:42:10", "count" : 3, "pub-type": "article", "journal": "Dalton Transactions", "year": "2008", "url": "", "author": [ "Amarendra N. Maity","Biprajit Sarkar","Mark Niemeyer","Monika Sieger","Carole Duboc","Stanislav Zalis","Wolfgang. Kaim" ], "authors": [ {"first" : "Amarendra N.", "last" : "Maity"}, {"first" : "Biprajit", "last" : "Sarkar"}, {"first" : "Mark", "last" : "Niemeyer"}, {"first" : "Monika", "last" : "Sieger"}, {"first" : "Carole", "last" : "Duboc"}, {"first" : "Stanislav", "last" : "Zalis"}, {"first" : "Wolfgang.", "last" : "Kaim"} ], "number": "42","pages": "5749--5753","abstract": "The radical complex (μ4-TCNQF4)[Re(CO)3(bpy)]4(PF6)3, as prepd. and isolated from the reaction between TCNQF4 and [Re(CO)3(bpy)(MeOH)](PF6), was studied electrochem. and by IR vibrational spectroscopy, UV-Vis-NIR absorption spectroscopy, and by EPR at 9.5, 190 and 285 GHz. The isotropic g factor of 2.0058, the detectable g anisotropy, and the 185,187Re EPR hyperfine coupling of 0.95 mT for four equiv. metal nuclei support predominant, but not exclusive, spin localization at the bridging ligand. Nitrile and metal carbonyl stretching frequencies as well as the typically structured near IR absorption band lend further support to (TCNQF4-)(ReI)4 as the most appropriate oxidn. state formulation. In comparison to the non-radical complex (μ4-TCNQ)[Re(CO)3(bpy)]4(PF6)4 an X-ray structure anal. of (μ4-TCNQF4)[Re(CO)3(bpy)]4(PF6)3 shows a marginally more twisted (ReNCCCNRe)(C6X4)(ReNCCCNRe) configuration and a different up/down arrangement of the [Re(CO)3(bpy)]+ groups. This first isolation, electrochem., structural and spectroscopic characterization of a discrete tetranuclear radical complex of a TCNQ-type ligand suggests a link between the stability of such materials and the rather small structural changes on ligand-based electron transfer. [on SciFinder(R)]", "issn" : "1477-9226", "doi" : "10.1039/b807977c", "bibtexKey": "Maity.2008" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/286c527b7b9da6c23b43221e90197fe6a/b_schwederski", "tags" : [ "ESR","alkylaminocarbene","aluminum","bivalent","complex","complex;mol","complex;optimized","cyclic","geometry","prepn","spectra;crystal","structure","tetracoordinate" ], "intraHash" : "86c527b7b9da6c23b43221e90197fe6a", "interHash" : "0df9da8e7ecd3ddfe7b50984835c3499", "label" : "Synthesis and characterization of Lewis base stabilized mono- and di-organo aluminum radicals", "user" : "b_schwederski", "description" : "", "date" : "2019-07-15 13:41:23", "changeDate" : "2019-07-15 11:42:10", "count" : 3, "pub-type": "article", "journal": "Chemical Communications (Cambridge, United Kingdom)", "year": "2017", "url": "", "author": [ "Subrata Kundu","Soumen Sinhababu","Sayan Dutta","Totan Mondal","Debasis Koley","Birger Dittrich","Brigitte Schwederski","Wolfgang Kaim","A. Claudia Stueckl","Herbert W. Roesky" ], "authors": [ {"first" : "Subrata", "last" : "Kundu"}, {"first" : "Soumen", "last" : "Sinhababu"}, {"first" : "Sayan", "last" : "Dutta"}, {"first" : "Totan", "last" : "Mondal"}, {"first" : "Debasis", "last" : "Koley"}, {"first" : "Birger", "last" : "Dittrich"}, {"first" : "Brigitte", "last" : "Schwederski"}, {"first" : "Wolfgang", "last" : "Kaim"}, {"first" : "A. Claudia", "last" : "Stueckl"}, {"first" : "Herbert W.", "last" : "Roesky"} ], "volume": "53","number": "76","pages": "10516--10519","abstract": "Two cyclic (alkyl)(amino)carbene (cAAC) stabilized mononuclear neutral radicals of aluminum, (cAAC)2Al(Et)R (cAAC = 1-Dipp-3,3,5,5-tetramethyl-2-pyrrolidinylidene; 1, 2; R = Et, Cl) have been synthesized by reaction of cAAC with EtAlRCl and KC8. Compds. 1 and 2 are monoradicals, which were confirmed by EPR measurements to have the spin located on the carbene carbon of one of the cAAC ligands. [on SciFinder(R)]", "issn" : "1359-7345", "doi" : "10.1039/C7CC06358J", "bibtexKey": "Kundu.2017b" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/203cef2280b0a591f005ea1d23701b3d2/b_schwederski", "tags" : [ "EPR","IR","TCNE","UV","Vis;DFT","bond","complex","coordination","crystal","cyano","geometry","mol","nitrogen","optimized","pentacarbonyltungsten","reassessment;TCNE","sigma","spectroelectrochem","structure" ], "intraHash" : "03cef2280b0a591f005ea1d23701b3d2", "interHash" : "cf59c020e099b8fb97df6001ecc46248", "label" : "Structural Reassessment of [W(CO)5(TCNE)]: N (s) Coordination Instead of an Olefin (p) Complex", "user" : "b_schwederski", "description" : "", "date" : "2019-07-15 13:41:23", "changeDate" : "2019-07-15 11:42:10", "count" : 3, "pub-type": "article", "journal": "Organometallics", "year": "2012", "url": "", "author": [ "Martina Bubrin","Michael J. Krafft","Lisa Steudle","Ralph Huebner","John S. Field","Stanislav Zalis","Wolfgang. Kaim" ], "authors": [ {"first" : "Martina", "last" : "Bubrin"}, {"first" : "Michael J.", "last" : "Krafft"}, {"first" : "Lisa", "last" : "Steudle"}, {"first" : "Ralph", "last" : "Huebner"}, {"first" : "John S.", "last" : "Field"}, {"first" : "Stanislav", "last" : "Zalis"}, {"first" : "Wolfgang.", "last" : "Kaim"} ], "volume": "31","number": "17","pages": "6305--6311","abstract": "The blue title compd., long assumed to be an olefin complex on the basis of an apparently single unresolved CN stretching band in the IR spectrum, has been identified by expt. and through DFT anal. as a s complex with the tungsten atom coordinated to one of the nitrile N centers. The previously reported data are reinterpreted in light of the new structural assignment, and spectroelectrochem. results (UV-vis, IR, EPR) are presented. [on SciFinder(R)]", "issn" : "0276-7333", "doi" : "10.1021/om300565q", "bibtexKey": "Bubrin.2012" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2d22407d0afc5f3452c1570c14b9c094c/b_schwederski", "tags" : [ "complex","complex;cyclic","complex;electronic","complex;optimized","complex;ruthenium","crystal","geometry","iminobenzoquinone","isomeric","nitrosyl","prepn","ruthenium","structure","terpyridine","voltammetry" ], "intraHash" : "d22407d0afc5f3452c1570c14b9c094c", "interHash" : "c6861d905bbb054759a66ba0689833a9", "label" : "An Odd-Electron Complex [Ruk(NOm)(Qn)(terpy)]2+ with Two Prototypical Non-Innocent Ligands", "user" : "b_schwederski", "description" : "", "date" : "2019-07-15 13:41:23", "changeDate" : "2019-07-15 11:42:10", "count" : 6, "pub-type": "article", "journal": "Angewandte Chemie, International Edition", "year": "2009", "url": "", "author": [ "Atanu Kumar Das","Biprajit Sarkar","Carole Duboc","Sabine Strobel","Jan Fiedler","Stanislav Zalis","Goutam Kumar Lahiri","Wolfgang. Kaim" ], "authors": [ {"first" : "Atanu Kumar", "last" : "Das"}, {"first" : "Biprajit", "last" : "Sarkar"}, {"first" : "Carole", "last" : "Duboc"}, {"first" : "Sabine", "last" : "Strobel"}, {"first" : "Jan", "last" : "Fiedler"}, {"first" : "Stanislav", "last" : "Zalis"}, {"first" : "Goutam Kumar", "last" : "Lahiri"}, {"first" : "Wolfgang.", "last" : "Kaim"} ], "volume": "48","number": "23","pages": "4242-4245, S4242/1-S4242/6","abstract": "Six combinations of oxidn. states are conceivable for the paramagnetic [Ruk(NOm)(Qn)(terpy)]2+ complex. Single-crystal X-ray diffraction, spectroscopic anal. (IR, EPR at conventional and high frequency), and DFT calcns. establish that it is the iminosemiquinone radical structure that is formed: [Ruk(NOm)(Qn)(terpy)]2+ (k=2+, m=1+, n=1-). [on SciFinder(R)]", "issn" : "1433-7851", "doi" : "10.1002/anie.200900767", "bibtexKey": "Das.2009b" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2b4c93cb022a3db564f28703648227d20/b_schwederski", "tags" : [ "complex","complex;gold","complexation","crystal","geometry","gold","imidazolyl","imidazolylhydroxymethane","imidazolylmethoxymethane","ketone","optimized","prepn","structure","structure;imidazolyl" ], "intraHash" : "b4c93cb022a3db564f28703648227d20", "interHash" : "5365de764e13c4a07d3b1c9843257c21", "label" : "Dichlorogold(III) complexes of bis(1-methyl-2-imidazolyl)ketone and related ligands: Geometrical and electronic structures", "user" : "b_schwederski", "description" : "", "date" : "2019-07-15 13:41:23", "changeDate" : "2019-07-15 11:42:10", "count" : 3, "pub-type": "article", "journal": "Polyhedron", "year": "2006", "url": "", "author": [ "Ece Bulak","Orkan Sarper","Akbey Dogan","Falk Lissner","Thomas Schleid","Wolfgang. Kaim" ], "authors": [ {"first" : "Ece", "last" : "Bulak"}, {"first" : "Orkan", "last" : "Sarper"}, {"first" : "Akbey", "last" : "Dogan"}, {"first" : "Falk", "last" : "Lissner"}, {"first" : "Thomas", "last" : "Schleid"}, {"first" : "Wolfgang.", "last" : "Kaim"} ], "volume": "25","number": "13","pages": "2577--2582","abstract": "The ligand bis(1-methyl-2-imidazolyl) ketone (bik) was studied by DFT with respect to the energy min. conformation in the neutral and the anion radical state. The hitherto unknown crystal structure of bik is reported. X-ray diffraction studies of cationic dichlorogold(III) complexes with bik and the related bis(1-methyl-2-imidazolyl)methoxymethane and bis(1-methyl-2-imidazolyl)hydroxymethane ligands showed the DFT-supported N,N'-coordination to form six-membered chelate rings. The LUMO of [(bik)AuCl2]+ was calcd. as Au-Cl centered in agreement with electrochem. and EPR results. [on SciFinder(R)]", "issn" : "0277-5387", "doi" : "10.1016/j.poly.2006.03.008", "bibtexKey": "Bulak.2006" } ] }