Work

UV-vis-NIR magnetic linear dichroism: a powerful complement to MCD for f-block electronic structure

Year: 2025

Type: article

Abstract: complex to facilitate the assignment of fine structure. Our assignments for 1·Pr allow us to fit its transitions with a phenomenological Hamiltonian, providing insight into its CF splitting and solution geometry along with entirely experimentally-derived wavefunctions for its states without use of density functional theory or multireference computational techniques.

Source: Chemical Science

DOI: 10.1039/d5sc05890b

Authors: Sydney M. Giles, Kevin O'Neil, Ian E. Ramsier, Gina Angelo, Xin Gui, Wesley J. Transue

Institution: University of Pittsburgh

Language: English

Topic: Molecular spectroscopy and chirality

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: diamond

Funders: National Science Foundation, University of Pittsburgh, Center for Research Computing, University of Pittsburgh

Awards: G1370689234, G2592393619, G3025648356, G3384453195, MRI: Acquisition of Cutting-Edge GPU and MPI Nodes for the Interdisciplinary Pitt Center for Research Computing