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While complexes [Fe(PNP<jats:sup>NMe<\/jats:sup>\u2010<jats:italic>i<\/jats:italic>Pr)(CO)<jats:sub>2<\/jats:sub>], [Fe(PNP<jats:sup>NEt<\/jats:sup>\u2010<jats:italic>i<\/jats:italic>Pr)(CO)<jats:sub>2<\/jats:sub>] adopt a trigonal bipyramidal geometry, the bulkier and more electron rich [Fe(PNP<jats:sup>NH<\/jats:sup>\u2010<jats:italic>t<\/jats:italic>Bu)(CO)<jats:sub>2<\/jats:sub>] is closer to a square pyramidal geometry. M\u00f6ssbauer spectra showed isomer shifts very close to 0 and similar to those reported for Fe(I) systems. Quadrupole splitting values range between 2.2 and 2.7\u2005mm\u2009s<jats:sup>\u22121<\/jats:sup> both in experiments and DFT calculations, while those of Fe(I) complexes are much smaller (\u223c0.6\u2005mm\u2009s<jats:sup>\u22121<\/jats:sup>).<\/jats:p>","DOI":"10.1002\/zaac.202100015","type":"journal-article","created":{"date-parts":[[2021,5,4]],"date-time":"2021-05-04T08:05:52Z","timestamp":1620115552000},"page":"1429-1435","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Structural and Electronic Properties of Iron(0) PNP Pincer Complexes"],"prefix":"10.1002","volume":"647","author":[{"given":"Mathias","family":"Glatz","sequence":"first","affiliation":[{"name":"Institute of Applied Synthetic Chemistry Vienna University of Technology  Getreidemarkt 9\/163-AC 1060 Vienna Austria"}]},{"given":"Nikolaus","family":"Gorgas","sequence":"additional","affiliation":[{"name":"Institute of Applied Synthetic Chemistry Vienna University of Technology  Getreidemarkt 9\/163-AC 1060 Vienna Austria"}]},{"given":"Berthold","family":"St\u00f6ger","sequence":"additional","affiliation":[{"name":"X-ray Center Vienna University of Technology  Getreidemarkt 9\/163-OC 1060 Vienna Austria"}]},{"given":"Ernst","family":"Pittenauer","sequence":"additional","affiliation":[{"name":"Institute of Chemical Technologies and Analytics Vienna University of Technology  Getreidemarkt 9 A-1060 Vienna Austria"}]},{"given":"Liliana","family":"Ferreira","sequence":"additional","affiliation":[{"name":"Department of Physics University of Coimbra  3004-516 Coimbra Portugal"},{"name":"BioISI-Biosystems and Integrative Sciences Institute Faculdade de Ci\u00eancias  Universidade de Lisboa 1749-016 Lisboa Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5841-3519","authenticated-orcid":false,"given":"Luis F.","family":"Veiros","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica Estrutural and Departamento de Engenharia Qu\u00edmica Instituto Superior T\u00e9cnico Universidade de Lisboa  Av Rovisco Pais 1049-001 Lisboa Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6872-3569","authenticated-orcid":false,"given":"Maria Jos\u00e9","family":"Calhorda","sequence":"additional","affiliation":[{"name":"BioISI-Biosystems and Integrative Sciences Institute Faculdade de Ci\u00eancias  Universidade de Lisboa 1749-016 Lisboa Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0872-6159","authenticated-orcid":false,"given":"Karl","family":"Kirchner","sequence":"additional","affiliation":[{"name":"Institute of Applied Synthetic Chemistry Vienna University of Technology  Getreidemarkt 9\/163-AC 1060 Vienna Austria"}]}],"member":"311","published-online":{"date-parts":[[2021,5,4]]},"reference":[{"key":"e_1_2_6_1_1","unstructured":"For reviews on pincer complexes see:"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1039\/C5DT02295A"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1002\/cctc.201702019"},{"volume-title":"Pincer Compounds: Chemistry and Applications","year":"2018","author":"Morales-Morales D.","key":"e_1_2_6_4_2"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3773(20011015)40:20<3750::AID-ANIE3750>3.0.CO;2-6"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr960118r"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/B978-044453138-4\/50010-6"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1021\/ar700129q"},{"key":"e_1_2_6_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/om400241x"},{"key":"e_1_2_6_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic0608647"},{"key":"e_1_2_6_11_1","doi-asserted-by":"publisher","DOI":"10.1021\/om800425p"},{"key":"e_1_2_6_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2014.08.029"},{"key":"e_1_2_6_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201304631"},{"key":"e_1_2_6_14_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200803665"},{"key":"e_1_2_6_15_1","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201500646"},{"key":"e_1_2_6_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/om060802o"},{"key":"e_1_2_6_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic200730k"},{"volume-title":"Density Functional Theory of Atoms and Molecules","author":"Parr R. 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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 \u00d6. Farkas J.\u2005B. Foresman J.\u2005V. Ortiz J. Cioslowski D.\u2005J. Fox Gaussian Inc. 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