Revisiting the origin of the bending in group 2 metallocenes AeCp
Journal
Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Titre abrégé: Phys Chem Chem Phys
Pays: England
ID NLM: 100888160
Informations de publication
Date de publication:
02 Aug 2023
02 Aug 2023
Historique:
medline:
24
7
2023
pubmed:
24
7
2023
entrez:
24
7
2023
Statut:
epublish
Résumé
Metallocenes are well-established compounds in organometallic chemistry, and can exhibit either a coplanar structure or a bent structure according to the nature of the metal center (E) and the cyclopentadienyl ligands (Cp). Herein, we re-examine the chemical bonding to underline the origins of the geometry and stability observed experimentally. To this end, we have analysed a series of group 2 metallocenes [Ae(C
Identifiants
pubmed: 37482883
doi: 10.1039/d2cp05020j
pmc: PMC10395002
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
20657-20667Références
Chem Sci. 2022 Dec 15;14(2):384-392
pubmed: 36687341
Chem Sci. 2022 May 9;13(22):6583-6591
pubmed: 35756523
Phys Chem Chem Phys. 2022 Jan 26;24(4):2344-2348
pubmed: 35018916
Phys Rev B Condens Matter. 1986 Jun 15;33(12):8822-8824
pubmed: 9938299
Angew Chem Int Ed Engl. 2012 Jun 18;51(25):6052-8
pubmed: 22573490
J Chem Phys. 2010 Apr 21;132(15):154104
pubmed: 20423165
J Comput Chem. 2011 May;32(7):1456-65
pubmed: 21370243
Phys Rev B Condens Matter. 1986 Nov 15;34(10):7406
pubmed: 9949100
Chemistry. 2021 Jan 18;27(4):1219-1230
pubmed: 32735356
J Chem Phys. 2004 Sep 8;121(10):4494-500
pubmed: 15332879
J Comput Chem. 2019 Sep 30;40(25):2234-2241
pubmed: 31172571
J Am Chem Soc. 2005 Dec 14;127(49):17494-503
pubmed: 16332102
J Chem Phys. 2020 Jun 7;152(21):214117
pubmed: 32505150
J Chem Theory Comput. 2016 Oct 11;12(10):4778-4792
pubmed: 27564403
J Chem Phys. 2017 Dec 28;147(24):244106
pubmed: 29289120
J Chem Phys. 2004 Jul 8;121(2):737-50
pubmed: 15260600
Chemistry. 2004 Nov 19;10(23):5923-35
pubmed: 15484199
Chemistry. 2002 Oct 18;8(20):4693-707
pubmed: 12561110
Phys Rev B Condens Matter. 1988 Jan 15;37(2):785-789
pubmed: 9944570
J Phys Chem A. 2022 Aug 11;126(31):5231
pubmed: 35895857
J Phys Chem A. 2012 Jul 5;116(26):7219-27
pubmed: 22690901
Chemistry. 2001 Oct 1;7(19):4155-63
pubmed: 11686594
J Chem Theory Comput. 2009 Apr 14;5(4):962-75
pubmed: 26609605
J Mol Model. 2008 Aug;14(8):681-7
pubmed: 18278526
Inorg Chem. 2018 May 7;57(9):4906-4920
pubmed: 29671589
J Comput Chem. 2017 Jan 5;38(1):15-23
pubmed: 27761924
Phys Rev A Gen Phys. 1988 Sep 15;38(6):3098-3100
pubmed: 9900728
Phys Chem Chem Phys. 2020 Oct 15;22(39):22459-22464
pubmed: 32996940
Phys Chem Chem Phys. 2005 Sep 21;7(18):3297-305
pubmed: 16240044
J Phys Chem A. 2020 Feb 20;124(7):1306-1311
pubmed: 31986041
Chem Commun (Camb). 2002 Oct 21;(20):2458-9
pubmed: 12430489
Proc Natl Acad Sci U S A. 2007 Apr 24;104(17):6908-14
pubmed: 17442749
Chem Rev. 1999 Apr 14;99(4):969-990
pubmed: 11848997
Chem Commun (Camb). 2017 Oct 31;53(87):11933-11936
pubmed: 29048081