alexa Aggregation of alkyllithiums in tetrahydrofuran.
Chemistry

Chemistry

Organic Chemistry: Current Research

Author(s): Pratt LM, Truhlar DG, Cramer CJ, Kass SR, Thompson JD,

Abstract Share this page

Abstract Density functional theory was used to examine the solvation number and aggregation state of several alkyllithium compounds in clusters with tetrahydrofuran molecules coordinated to each lithium atom. We then made the microsolvation approximation and approximated the bulk free energy of solvation by the free energy of clustering with solvent molecules in the gas phase. The trends in the computed results are in reasonable agreement with the available experimental data. This article was published in J Org Chem and referenced in Organic Chemistry: Current Research

Relevant Expert PPTs

Relevant Speaker PPTs

Recommended Conferences

  • 3rd World Chemistry Conference
    September 11-12, 2017 Dallas, USA
  • 2nd International Conference on Biochemistry
    Sep 21-22, 2017 Macau, Hong Kong
  • Chemistry Congress 2017
    October 02-04, 2017 Vancouver, Canada

Relevant Topics

Peer Reviewed Journals
 
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
 
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

 
© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version
adwords