Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics

Abstract

The origin of distinct 3d vs. 4d transition metal complex sensitivity to exchange is explored over a large data set.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2020
Source ID
10.1039/d0cp02977g

Entities

People

  • Aditya Nandy
  • Chenru Duan
  • Daniel B K Chu
  • Daniel R. Harper
  • Heather J. Kulik
  • Naveen Arunachalam
  • Yael Cytter

Organizations

  • American Association for the Advancement of Science
  • Burroughs Wellcome Fund
  • Division of Chemical, Bioengineering, Environmental, and Transport Systems
  • Massachusetts Institute of Technology
  • National Science Foundation
  • Office of Basic Energy Sciences
  • Office of Naval Research
  • United States Army
  • University of Cambridge
  • Yusuf Hamied Department of Chemistry

Tags

Fields of Study

  • Physics

Readers

  • Computational Fluid Dynamics (CFD)
  • Molecular Photonics/Laser Physics
  • Quantum Chemistry