
{  
   "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/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/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/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"

      }
	  
   ]
}
