How does an S(N)2 reaction take place in solution? Full ab initio MD simulations for the hydrolysis of the methyl diazonium ion

J Am Chem Soc. 2008 Feb 27;130(8):2396-7. doi: 10.1021/ja710038c. Epub 2008 Feb 2.

Authors

Makoto Sato¹, Hiroshi Yamataka, Yuto Komeiji, Yuji Mochizuki, Takeshi Ishikawa, Tatsuya Nakano

Affiliation

¹ Department of Chemistry, Rikkyo University, Toshima-ku, Tokyo 171-8501, Japan.

PMID: 18251480
DOI: 10.1021/ja710038c

No abstract available

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Computer Simulation*
Diazonium Compounds / chemistry*
Hydrolysis
Ions / chemistry
Models, Chemical*
Models, Molecular
Molecular Structure
Quantum Theory
Solutions / chemistry
Stereoisomerism

Substances

Diazonium Compounds
Ions
Solutions