Home > Research > Publications & Outputs > Coordination Chemistry and QTAIM Analysis of Ho...

Electronic data

  • Dithiocarbamate_REVISION_AK

    Rights statement: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © 2018 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b00077

    Accepted author manuscript, 712 KB, PDF document

    Available under license: CC BY-NC: Creative Commons Attribution-NonCommercial 4.0 International License

Links

Text available via DOI:

View graph of relations

Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4, M = Ti, Zr, Hf, Th, U, Np

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Published
  • Andrew Behrle
  • A Myers
  • Pokpong Rungthanaphatsophon
  • Andrew Kerridge
  • Justin Walensky
Close
<mark>Journal publication date</mark>2018
<mark>Journal</mark>Inorganic Chemistry
Issue number17
Volume57
Number of pages7
Pages (from-to)10518-10524
Publication StatusPublished
<mark>Original language</mark>English

Abstract

In a systematic approach to comparing the molecular structure and bonding in homoleptic transition-metal and actinide complexes, a series of dithiocarbamates, M(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np), have been synthesized. These complexes have been characterized through spectroscopic and X-ray crystallographic analysis, and their bonding has been examined using density functional theory calculations. Computational results indicate that the covalent character associatedSave with the M-S bonds shows the trend of Hf < Zr < Th < Ti < U ≈ Np. © 2018 American Chemical Society.

Bibliographic note

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © 2018 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b00077