The Role of Solvent and of Species Generated in Situ on the Kinetic Acceleration of Aminoborane Oligomerization | Zendy

Malakar Tanmay | Zendy; Roy Lisa | Zendy; Paul Ankan | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Premium

The Role of Solvent and of Species Generated in Situ on the Kinetic Acceleration of Aminoborane Oligomerization

Author(s) -

Malakar Tanmay,

Roy Lisa,

Paul Ankan

Publication year - 2013

Publication title -

chemistry – a european journal

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.687

H-Index - 242

eISSN - 1521-3765

pISSN - 0947-6539

DOI - 10.1002/chem.201300176

Subject(s) - nucleophile , in situ , solvent , chemistry , kinetic energy , computer science , combinatorial chemistry , catalysis , organic chemistry , physics , quantum mechanics

The unexpected role of nucleophilic assistance of solvents and intermediates generated in situ in catalyzing NH 2 BH 2 oligomerization is revealed in a computational study. The rate‐determining free‐energy barrier E A that is due to solvent participation for conversion of NH 2 BH 2 to cyclotriborazane (NH 2 BH 2 ) 3 is only 12.7 kcal mol −1 , whereas without nucleophilic assistance it is as high as 29.0 kcal mol −1 in THF (see figure).

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here

Accelerating Research