Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Feedback

Rate Our Products and Services

Help


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty

More...


Administrative Links

NIST home page

MML home page

Chemical and Biochemical Reference Data Division

MML home page

Chemical and Biochemical Reference Data Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Su, M.D.
Title:   Theoretical study of the reaction mechanism of abstraction reactions of disilenes and digermanes with haloalkanes
Journal:   J. Phys. Chem. A
Volume:   108
Page(s):   823 - 832
Year:   2004
Reference type:   Journal article
Squib:   2004SU823-832

Reaction:   (SiH3)2Ge=Ge(SiH3)2 + CCl4 → Other Products + ·CCl3
Reaction order:   2
Rate expression:   no rate data available
Category:  Uncategorized
Comments:   No rate constants reported. Just barrier heights and energetics of pathways. DFT quantum chemistry study of reaction between CCl4 and Disilene and Digermene species, e.g. SiH2=SiH2 and GeH2=GeH2 substituted with F, Cl, CH3, or SiH3. Used B3LYP/6-311G(d) method.

Barrier of about 6 kcal/mol and reaction being exothermic by about -7 kcal/mol

View full bibliographic record.