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Title: Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles

We present the homoleptic sandwich compounds-Mo and W biscorroles-have afforded a novel platform for experimental studies of relativistic effects. A 200 mV difference in reduction potential and a remarkable 130 nm shift of a near-IR spectral feature have been identified as manifestations of relativistic effects on the properties of these complexes.
Authors:
 [1] ;  [1] ;  [2] ; ORCiD logo [1]
  1. The Arctic University of Norway (Norway). Department of Chemistry and Center for Theoretical and Computational Chemistry, UiT
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 53; Journal Issue: 43; Related Information: © 2017 The Royal Society of Chemistry.; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1437954

Alemayehu, Abraham B., Vazquez-Lima, Hugo, McCormick, Laura J., and Ghosh, Abhik. Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles. United States: N. p., Web. doi:10.1039/c7cc01549f.
Alemayehu, Abraham B., Vazquez-Lima, Hugo, McCormick, Laura J., & Ghosh, Abhik. Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles. United States. doi:10.1039/c7cc01549f.
Alemayehu, Abraham B., Vazquez-Lima, Hugo, McCormick, Laura J., and Ghosh, Abhik. 2017. "Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles". United States. doi:10.1039/c7cc01549f. https://www.osti.gov/servlets/purl/1437954.
@article{osti_1437954,
title = {Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles},
author = {Alemayehu, Abraham B. and Vazquez-Lima, Hugo and McCormick, Laura J. and Ghosh, Abhik},
abstractNote = {We present the homoleptic sandwich compounds-Mo and W biscorroles-have afforded a novel platform for experimental studies of relativistic effects. A 200 mV difference in reduction potential and a remarkable 130 nm shift of a near-IR spectral feature have been identified as manifestations of relativistic effects on the properties of these complexes.},
doi = {10.1039/c7cc01549f},
journal = {ChemComm},
number = 43,
volume = 53,
place = {United States},
year = {2017},
month = {5}
}

Works referenced in this record:

Chemistry with ADF
journal, January 2001
  • te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.
  • Journal of Computational Chemistry, Vol. 22, Issue 9, p. 931-967
  • DOI: 10.1002/jcc.1056