{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,15]],"date-time":"2025-12-15T13:59:19Z","timestamp":1765807159316,"version":"build-2065373602"},"reference-count":113,"publisher":"Wiley","issue":"13","license":[{"start":{"date-parts":[[2014,2,24]],"date-time":"2014-02-24T00:00:00Z","timestamp":1393200000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Chemistry A European J"],"published-print":{"date-parts":[[2014,3,24]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>[RuCl(arene)(\u03bc\u2010Cl)]<jats:sub>2<\/jats:sub> dimers were treated in a 1:2 molar ratio with sodium or thallium salts of bis\u2010 and tris(pyrazolyl)borate ligands [Na(Bp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-2.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-2\"\/>)], [Tl(Tp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-3.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-3\"\/>)], and [Tl(Tp<jats:sup><jats:italic>i<\/jats:italic>Pr,\u20094Br<\/jats:sup>)]. Mononuclear neutral complexes [RuCl(arene)(\u03ba<jats:sup>2<\/jats:sup>\u2010Bp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-6.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-6\"\/>)] (<jats:bold>1<\/jats:bold>: arene=<jats:italic>p<\/jats:italic>\u2010cymene (cym); <jats:bold>2<\/jats:bold>: arene=hexamethylbenzene (hmb); <jats:bold>3<\/jats:bold>: arene=benzene (bz)), [RuCl(arene)(\u03ba<jats:sup>2<\/jats:sup>\u2010Tp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-8.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-8\"\/>)] (<jats:bold>4<\/jats:bold>: arene=cym; <jats:bold>6<\/jats:bold>: arene=bz), and [RuCl(arene)(\u03ba<jats:sup>2<\/jats:sup>\u2010Tp<jats:sup><jats:italic>i<\/jats:italic>Pr,\u20094Br<\/jats:sup>)] (<jats:bold>7<\/jats:bold>: arene=cym, <jats:bold>8<\/jats:bold>: arene=hmb, <jats:bold>9<\/jats:bold>: arene=bz) have been always obtained with the exception of the ionic [Ru<jats:sub>2<\/jats:sub>(hmb)<jats:sub>2<\/jats:sub>(\u03bc\u2010Cl)<jats:sub>3<\/jats:sub>][Tp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-11.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-11\"\/>] (<jats:bold>5\u2032<\/jats:bold>), which formed independently of the ratio of reactants and reaction conditions employed. The ionic [Ru(CH<jats:sub>3<\/jats:sub>OH)(cym)(\u03ba<jats:sup>2<\/jats:sup>\u2010Bp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-13.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-13\"\/>)][X] (<jats:bold>10<\/jats:bold>: X=PF<jats:sub>6<\/jats:sub>, <jats:bold>12<\/jats:bold>: X=O<jats:sub>3<\/jats:sub>SCF<jats:sub>3<\/jats:sub>) and the neutral [Ru(O<jats:sub>2<\/jats:sub>CCF<jats:sub>3<\/jats:sub>)(cym)(\u03ba<jats:sup>2<\/jats:sup>\u2010Bp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-15.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-15\"\/>)] (<jats:bold>11<\/jats:bold>) have been obtained by a metathesis reaction with corresponding silver salts. All complexes <jats:bold>1<\/jats:bold>\u2013<jats:bold>12<\/jats:bold> have been characterized by analytical and spectroscopic data (IR, ESI\u2010MS, <jats:sup>1<\/jats:sup>H and <jats:sup>13<\/jats:sup>C\u2005NMR spectroscopy). The structures of the thallium and calcium derivatives of ligand Tp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-18.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-18\"\/>, [Tl(Tp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-19.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-19\"\/>)] and [Ca(dmso)<jats:sub>6<\/jats:sub>][Tp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-20.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-20\"\/>]<jats:sub>2<\/jats:sub><jats:bold>\u22c5<\/jats:bold>2\u2009DMSO, of the complexes <jats:bold>1<\/jats:bold>, <jats:bold>4<\/jats:bold>, <jats:bold>5\u2032<\/jats:bold>, <jats:bold>6<\/jats:bold>, <jats:bold>11<\/jats:bold>, and of the decomposition product [RuCl(cym)(Hpz<jats:sup><jats:italic>i<\/jats:italic>Pr,\u20094Br<\/jats:sup>)<jats:sub>2<\/jats:sub>][Cl] (<jats:bold>7\u2032<\/jats:bold>) have been confirmed by using single\u2010crystal X\u2010ray diffraction. Electrochemical studies showed that <jats:bold>1<\/jats:bold>\u2013<jats:bold>9<\/jats:bold> and <jats:bold>11<\/jats:bold> undergo a single\u2010electron Ru<jats:sup>II<\/jats:sup>\u2192Ru<jats:sup>III<\/jats:sup> oxidation at a potential, measured by cyclic voltammetry, which allows comparison of the electron\u2010donor characters of the bis\u2010 and tris(pyrazol\u20101\u2010yl)borate and arene ligands, and to estimate, for the first time, the values of the Lever <jats:italic>E<\/jats:italic><jats:sub>L<\/jats:sub> ligand parameter for Bp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-24.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-24\"\/>, Tp<jats:inline-graphic xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:href=\"graphic\/tex2gif-sup-25.gif\" xlink:title=\"urn:x-wiley:09476539:media:CHEM201304406:tex2gif-sup-25\"\/>, and Tp<jats:sup><jats:italic>i<\/jats:italic>Pr,\u20094Br<\/jats:sup>. Theoretical calculations at the DFT level indicated that both oxidation and reduction of the Ru complexes under study are mostly metal\u2010centered with some involvement of the chloride ligand in the former case, and also demonstrated that the experimental isolation of the \u03bc<jats:sup>3<\/jats:sup>\u2010binuclear complex <jats:bold>5\u2032<\/jats:bold> (instead of the mononuclear <jats:bold>5<\/jats:bold>) is accounted for by the low thermodynamic stability of the latter species due to steric reasons.<\/jats:p>","DOI":"10.1002\/chem.201304406","type":"journal-article","created":{"date-parts":[[2014,2,24]],"date-time":"2014-02-24T16:27:56Z","timestamp":1393259276000},"page":"3689-3704","source":"Crossref","is-referenced-by-count":19,"title":["New Ru<sup>II<\/sup>(arene) Complexes with Halogen\u2010Substituted Bis\u2010 and Tris(pyrazol\u20101\u2010yl)borate Ligands"],"prefix":"10.1002","volume":"20","author":[{"given":"Serena","family":"Orbisaglia","sequence":"first","affiliation":[]},{"given":"Corrado","family":"Di\u2005Nicola","sequence":"additional","affiliation":[]},{"given":"Fabio","family":"Marchetti","sequence":"additional","affiliation":[]},{"given":"Claudio","family":"Pettinari","sequence":"additional","affiliation":[]},{"given":"Riccardo","family":"Pettinari","sequence":"additional","affiliation":[]},{"given":"Lu\u00edsa M. D. R. S.","family":"Martins","sequence":"additional","affiliation":[]},{"given":"Elisabete C. B. A.","family":"Alegria","sequence":"additional","affiliation":[]},{"given":"M. F\u00e1tima C.","family":"Guedes\u2005da\u2005Silva","sequence":"additional","affiliation":[]},{"given":"Bruno G. M.","family":"Rocha","sequence":"additional","affiliation":[]},{"given":"Maxim L.","family":"Kuznetsov","sequence":"additional","affiliation":[]},{"given":"Armando J. L.","family":"Pombeiro","sequence":"additional","affiliation":[]},{"given":"Brian W.","family":"Skelton","sequence":"additional","affiliation":[]},{"given":"Alexandre N.","family":"Sobolev","sequence":"additional","affiliation":[]},{"given":"Allan H.","family":"White","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2014,2,24]]},"reference":[{"key":"e_1_2_6_1_2","doi-asserted-by":"publisher","DOI":"10.1142\/p148"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1142\/p527"},{"key":"e_1_2_6_3_2","unstructured":"\u00a0"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200800588"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic051579a"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic0101275"},{"key":"e_1_2_6_7_2","unstructured":"\u00a0"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic201555f"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic051689h"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1021\/om049954e"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.200900660"},{"key":"e_1_2_6_12_2","unstructured":"\u00a0"},{"key":"e_1_2_6_13_2","doi-asserted-by":"publisher","DOI":"10.1039\/c39730000847"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1039\/DT9860000109"},{"key":"e_1_2_6_15_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-328X(95)06011-K"},{"key":"e_1_2_6_16_2","doi-asserted-by":"publisher","DOI":"10.1016\/0277-5387(95)00548-X"},{"key":"e_1_2_6_17_2","doi-asserted-by":"publisher","DOI":"10.1039\/a804254c"},{"key":"e_1_2_6_18_2","doi-asserted-by":"publisher","DOI":"10.1039\/a702674i"},{"key":"e_1_2_6_19_2","unstructured":"\u00a0"},{"key":"e_1_2_6_20_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2005.12.069"},{"key":"e_1_2_6_21_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200460528"},{"key":"e_1_2_6_21_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200460528"},{"key":"e_1_2_6_22_2","doi-asserted-by":"publisher","DOI":"10.1021\/om034335b"},{"key":"e_1_2_6_23_2","doi-asserted-by":"publisher","DOI":"10.1039\/a803286f"},{"key":"e_1_2_6_24_2","doi-asserted-by":"publisher","DOI":"10.1039\/b104128m"},{"key":"e_1_2_6_25_2","doi-asserted-by":"publisher","DOI":"10.1039\/b106130p"},{"key":"e_1_2_6_26_2","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3757(20020104)114:1<177::AID-ANGE177>3.0.CO;2-E"},{"key":"e_1_2_6_26_3","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3773(20020104)41:1<169::AID-ANIE169>3.0.CO;2-S"},{"key":"e_1_2_6_27_2","doi-asserted-by":"publisher","DOI":"10.1039\/B411177J"},{"key":"e_1_2_6_28_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-8545(97)00024-6"},{"key":"e_1_2_6_29_2","doi-asserted-by":"publisher","DOI":"10.1021\/ar040153h"},{"key":"e_1_2_6_30_2","unstructured":"\u00a0"},{"key":"e_1_2_6_31_2","doi-asserted-by":"publisher","DOI":"10.1039\/b508531b"},{"key":"e_1_2_6_32_2","doi-asserted-by":"publisher","DOI":"10.1021\/ar100140e"},{"key":"e_1_2_6_33_2","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.200600723"},{"key":"e_1_2_6_34_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2010.11.009"},{"key":"e_1_2_6_35_2","unstructured":"\u00a0"},{"key":"e_1_2_6_36_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja954126l"},{"key":"e_1_2_6_37_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm200912j"},{"key":"e_1_2_6_38_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-328X(99)00433-7"},{"key":"e_1_2_6_39_2","doi-asserted-by":"publisher","DOI":"10.1021\/om200713v"},{"key":"e_1_2_6_40_2","doi-asserted-by":"publisher","DOI":"10.1021\/om011059x"},{"key":"e_1_2_6_41_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2005.02.050"},{"key":"e_1_2_6_42_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm060596m"},{"key":"e_1_2_6_43_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.inoche.2007.07.014"},{"key":"e_1_2_6_44_2","doi-asserted-by":"publisher","DOI":"10.1039\/B916860P"},{"key":"e_1_2_6_45_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic700394r"},{"key":"e_1_2_6_46_2","doi-asserted-by":"publisher","DOI":"10.1021\/om101146q"},{"key":"e_1_2_6_47_2","unstructured":"\u00a0"},{"key":"e_1_2_6_48_2","doi-asserted-by":"publisher","DOI":"10.1039\/b111568p"},{"key":"e_1_2_6_49_2","doi-asserted-by":"publisher","DOI":"10.1021\/om034242u"},{"key":"e_1_2_6_50_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2005.07.092"},{"key":"e_1_2_6_51_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.inoche.2004.01.009"},{"key":"e_1_2_6_52_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic010125k"},{"key":"e_1_2_6_53_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0020-1693(98)00287-4"},{"key":"e_1_2_6_54_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic00305a019"},{"key":"e_1_2_6_55_2","unstructured":"\u00a0"},{"key":"e_1_2_6_56_2","doi-asserted-by":"publisher","DOI":"10.1021\/om970352n"},{"key":"e_1_2_6_57_2","doi-asserted-by":"publisher","DOI":"10.1021\/om9805685"},{"key":"e_1_2_6_58_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-8545(00)80009-0"},{"key":"e_1_2_6_59_2","unstructured":"With reference to the [PF6]\u2212group see:"},{"key":"e_1_2_6_60_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.19670790104"},{"key":"e_1_2_6_60_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.196700531"},{"key":"e_1_2_6_61_2","doi-asserted-by":"publisher","DOI":"10.1002\/cber.19901230812"},{"key":"e_1_2_6_62_2","doi-asserted-by":"publisher","DOI":"10.1515\/znb-1992-0422"},{"key":"e_1_2_6_63_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr00071a002"},{"key":"e_1_2_6_64_2","doi-asserted-by":"publisher","DOI":"10.1016\/0584-8539(94)80147-9"},{"key":"e_1_2_6_65_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF00907531"},{"key":"e_1_2_6_66_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-8545(00)80455-5"},{"key":"e_1_2_6_67_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-328X(01)01387-0"},{"key":"e_1_2_6_68_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0020-1693(03)00048-3"},{"key":"e_1_2_6_69_2","doi-asserted-by":"publisher","DOI":"10.1107\/S1600536812018338"},{"key":"e_1_2_6_70_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic9606791"},{"key":"e_1_2_6_71_2","doi-asserted-by":"publisher","DOI":"10.1080\/00958970500039181"},{"key":"e_1_2_6_72_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0108768109046448"},{"key":"e_1_2_6_73_2","doi-asserted-by":"publisher","DOI":"10.1021\/om00001a021"},{"key":"e_1_2_6_74_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0108270193001490"},{"key":"e_1_2_6_75_2","unstructured":"\u00a0"},{"key":"e_1_2_6_76_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-328X(99)00563-X"},{"key":"e_1_2_6_77_2","doi-asserted-by":"publisher","DOI":"10.1080\/00945710009351770"},{"key":"e_1_2_6_78_2","doi-asserted-by":"crossref","first-page":"1363","DOI":"10.1107\/S160053681103621X","volume":"67","author":"\u0160t\u0115pni\u010dka P.","year":"2011","journal-title":"Acta Crystallogr. Sect. E"},{"key":"e_1_2_6_79_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic061714z"},{"key":"e_1_2_6_80_2","unstructured":"\u00a0"},{"key":"e_1_2_6_81_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3749(199805)624:5<755::AID-ZAAC755>3.0.CO;2-J"},{"key":"e_1_2_6_82_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0277-5387(97)00502-0"},{"key":"e_1_2_6_83_2","doi-asserted-by":"publisher","DOI":"10.1515\/MGMC.1998.21.1.33"},{"key":"e_1_2_6_84_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0277-5387(01)01026-9"},{"key":"e_1_2_6_85_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.poly.2003.12.009"},{"key":"e_1_2_6_86_2","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201000799"},{"key":"e_1_2_6_87_2","unstructured":"\u00a0"},{"key":"e_1_2_6_88_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic00331a030"},{"key":"e_1_2_6_89_2","doi-asserted-by":"publisher","DOI":"10.1016\/B0-08-043748-6\/01185-3"},{"key":"e_1_2_6_90_2","first-page":"77","volume-title":"Encyclopedia of Electrochemistry, Vol.\u20057\u2009A","author":"Pombeiro A. J. L.","year":"2006"},{"key":"e_1_2_6_91_2","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.200601095"},{"key":"e_1_2_6_92_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2005.07.111"},{"key":"e_1_2_6_93_2","first-page":"649","volume":"21","author":"Pombeiro A. J. L.","year":"1997","journal-title":"New J. Chem."},{"key":"e_1_2_6_94_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic0503737"},{"key":"e_1_2_6_95_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic049479c"},{"key":"e_1_2_6_96_2","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.200700672"},{"key":"e_1_2_6_97_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic900463b"},{"key":"e_1_2_6_98_2","unstructured":"\u00a0"},{"key":"e_1_2_6_99_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-328X(94)87105-1"},{"key":"e_1_2_6_100_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-328X(91)86433-Q"},{"key":"e_1_2_6_101_2","doi-asserted-by":"publisher","DOI":"10.1021\/om000043o"},{"key":"e_1_2_6_102_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.electacta.2012.05.006"},{"key":"e_1_2_6_103_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-8545(01)00299-5"},{"key":"e_1_2_6_104_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0108767307043930"},{"key":"e_1_2_6_105_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"e_1_2_6_106_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"e_1_2_6_107_2","unstructured":"Gaussian\u200509 Revision A.01 M.\u2005J. Frisch G.\u2005W. Trucks H.\u2005B. Schlegel G.\u2005E. Scuseria M.\u2005A. Robb J.\u2005R. Cheeseman G. Scalmani V. Barone B. Mennucci G.\u2005A. Petersson H. Nakatsuji M. Caricato X. Li H.\u2005P. Hratchian A.\u2005F. Izmaylov J. Bloino G. Zheng J.\u2005L. Sonnenberg M. Hada M. Ehara K. Toyota R. Fukuda J. Hasegawa M. Ishida T. Nakajima Y. Honda O. Kitao H. Nakai T. Vreven J.\u2005A.\u2005J. Montgomery J.\u2005E. Peralta F. Ogliaro M. Bearpark J.\u2005J. Heyd E. Brothers K.\u2005N. Kudin V.\u2005N. Staroverov R. Kobayashi J. Normand K. Raghavachari A. Rendell J.\u2005C. Buran S.\u2005S. Iyengar J. Tomasi M. Cossi N. Rega J.\u2005M. Millam M. Klene J.\u2005E. Knox J.\u2005B. Cross V. Bakken C. Adamo J. Jaramillo R. Gomperts R.\u2005E. Stratmann O. Yazyev A.\u2005J. Austin R. Cammi C. Pomelli J.\u2005W. Ochterski R.\u2005L. Martin K. Morokuma V.\u2005G. Zakrzewski G.\u2005A. Voth P. Salvador J.\u2005J. Dannenberg S. Dapprich A.\u2005D. Daniels O. Farkas J.\u2005B. Foresman J.\u2005V. Ortiz J. Cioslowski D.\u2005J. Fox Gaussian Inc. Wallingford CT2009."},{"key":"e_1_2_6_108_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF01114537"},{"key":"e_1_2_6_109_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr00031a013"},{"key":"e_1_2_6_110_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp9716997"}],"container-title":["Chemistry \u2013 A European Journal"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fchem.201304406","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/chem.201304406","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T10:28:46Z","timestamp":1760264926000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/chem.201304406"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,2,24]]},"references-count":113,"journal-issue":{"issue":"13","published-print":{"date-parts":[[2014,3,24]]}},"alternative-id":["10.1002\/chem.201304406"],"URL":"https:\/\/doi.org\/10.1002\/chem.201304406","archive":["Portico"],"relation":{},"ISSN":["0947-6539","1521-3765"],"issn-type":[{"type":"print","value":"0947-6539"},{"type":"electronic","value":"1521-3765"}],"subject":[],"published":{"date-parts":[[2014,2,24]]}}}