Flash Communication: Boron K-edge XAS and TDDFT Studies of Covalent Metal–Ligand Bonding in Ni(C2B9H11)2
Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide Ligand K-edge X-ray absorption spectroscopy (XAS), a technique that can measure variations in covalent metal–ligand bonding, has rarely been used to assess covalency in complexes containing metal–boron bonds. Here we describe ligand K-edge XAS and TDDFT studies of the Ni dicarbollide complex Ni(C 2 B 9 H 11 ) 2 ( 1 ) and the Ni-free salt (HNMe 3 )(C 2 B 9 H 12 ) ( L1 ). The XAS spectrum for 1 reveals a pre-edge feature indicative of covalent Ni–B bonding, which is corroborated by time-dependent density functional theory (TDDFT) calculations and comparative analysis to L1 and inner-shell electron energy loss spectroscopy (ISEELS) collected on the same Ni complex.
Source: Organometallics
Authors: Hannah M. Hansen, Palak Garg, Jacob J. Schuely, Mai Yer Yang, Omar K. Farha, Jason M. Keith, Scott R. Daly
Language: English
Topic: Boron Compounds in Chemistry
Subfield: Radiology, Nuclear Medicine and Imaging
Field: Medicine
Domain: Health Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Awards: G7667807087, G7935559269
OpenAlex ID: W4411089248