Spectroscopic and Electronic Properties of Molybdacarborane Complexes with Non‐innocently Acting Ligands. Issue 36 (30th May 2019)

• Record Type: Journal Article
• Authors: Schwarze, Benedikt; Sobottka, Sebastian; Schiewe, Robert; Sarkar, Biprajit; Hey‐Hawkins, Evamarie
• Is Part Of: Chemistry. Volume 25:Issue 36(2019)
• Page Start: 8550
• Page End: 8559
• Publication Date: 2019-05-30
• Subjects: carborane -- density functional theory calculations -- molybdacarborane -- Raman spectroscopy -- spectroelectrochemistry; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201900504
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: The molybdacarboranes [3‐{L‐κ 2 N, N}‐3‐(CO)2 ‐ closo ‐3, 1, 2‐MoC2 B9 H11 ] (L=2, 2′‐bipyridine (2, 2′‐bpy, 1 a ) or 1, 10‐phenanthroline (1, 10‐phen, 1 b )) incorporating well‐known potentially non‐innocent ligands (CO, 2, 2′‐bpy, 1, 10‐phen) and the "non‐spectator" nido ‐carborane ([η 5 ‐C2 B9 H11 ] 2− ) ligand were prepared and fully characterised. High‐resolution mass spectrometry, single‐crystal X‐ray diffraction methods, spectroscopy (IR, (resonance) Raman, NMR), cyclic voltammetry and spectroelectrochemistry (electrochemical properties) were supported by theoretical investigations of the electronic structure (DFT, CAS‐SCF, TD‐DFT). Abstract : The molybdacarboranes [3‐{L‐κ 2 N, N}‐3‐(CO)2 ‐ closo ‐3, 1, 2‐MoC2 B9 H11 ] (L=2, 2′‐bipyridine (2, 2′‐bpy, 1 a ) or 1, 10‐phenanthroline (1, 10‐phen, 1 b )) incorporating well‐known potentially non‐innocent ligands (CO, 2, 2′‐bpy, 1, 10‐phen) and the "non‐spectator" nido ‐carborane ([η 5 ‐C2 B9 H11 ] 2− ) ligand were prepared and fully characterised. High‐resolution mass spectrometry, single‐crystal X‐ray diffraction methods, spectroscopy (IR, (resonance) Raman, NMR), cyclic voltammetry and spectroelectrochemistry (electrochemical properties) were supported by theoretical investigations of the electronic structure (DFT, CAS‐SCF, TD‐DFT).