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Theoretical and Computational Aspects of Organotellurium Compounds

Organic Selenium and Tellurium Compounds (2012)

  1. Ricardo L. Longo,
  2. Paulo H. Menezes

Published Online: 17 OCT 2011

DOI: 10.1002/9780470682531.pat0570

Patai's Chemistry of Functional Groups

Patai's Chemistry of Functional Groups

How to Cite

Longo, R. L. and Menezes, P. H. 2011. Theoretical and Computational Aspects of Organotellurium Compounds. Patai's Chemistry of Functional Groups. .

Author Information

  1. Universidade Federal de Pernambuco, Cidade Universitária, Departamento de Química Fundamental, Recife, PE, Brazil

Publication History

  1. Published Online: 17 OCT 2011

Abstract

Computational methods applied to organotellurium compounds are reviewed and some new systematic studies are provided for completeness. From the reviewed works, only those which have connections and/or insights into experimental data and observations are thoroughly considered. It is hoped that no expertise on computational quantum chemical methods will be needed, but a brief survey of computational methods and a list of acronyms are provided. Despite being applied to organotellurium compounds only in recent years, quantum chemical methods provide relevant information for comprehending, rationalizing and guiding experimental results and observations. However, there are further studies to be performed to ascertain the predictive features of these methods.

Keywords:

  • ab initio;
  • DFT;
  • semiempirical;
  • structure;
  • reactivity;
  • thermochemistry;
  • spectroscopy;
  • mechanism;
  • bonding