Theoretical insights into C–C bond formation through isonitrile insertion into a Cp*Ti complex

Author:

Du Ming-Ran1234,Zhang Xiang-Biao1234ORCID,Si Sheng-Meng1234,Yang Feng1234,Wang Lei5674

Affiliation:

1. School of Chemical Engineering

2. Anhui University of Science and Technology

3. Huainan 232001

4. People's Republic of China

5. Department of Chemistry

6. Huaibei Normal University

7. Huaibei

Abstract

Reaction of Cp*(Cl)Ti(2,3-dimethylbutadiene) with isonitriles is studied using DFT, detailed elementary reaction steps and N-substitution effects of isonitrile are examined.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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