Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study

Tamilmani Selvaraj; Renganathan Rajalingam; Viswanathan Balasubramanian

doi:10.33435/tcandtc.429557

Research Article

Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study

Year 2018, , 28 - 35, 15.12.2018

Tamilmani Selvaraj , Renganathan Rajalingam Viswanathan Balasubramanian

https://doi.org/10.33435/tcandtc.429557

Abstract

Carbonyl-ene
reaction, which involves C-C bond formation, is an essential organic reaction. Here,
we explained the possibility of the C-C
bond formation between HCHO and propene catalyzed with Ni²⁺, Pd²⁺,
and Pt²⁺ exchanged on ZSM-5 zeolite (metal-ZSM-5) by density
functional theory. Pt-ZSM-5 exhibits a better activity than other metal-ZSM-5
reported in present work due to high charge transfer among the platinum and
formaldehyde.

Keywords

Carbonyl-ene reaction, ZSM-5 zeolite, Density Functional Theory, Natural Bond Orbital

References

[1] J.Angelo, G.Stork, J. Am. Chem. Soc. 96 (1974) 7114

Year 2018, , 28 - 35, 15.12.2018

Tamilmani Selvaraj , Renganathan Rajalingam Viswanathan Balasubramanian

https://doi.org/10.33435/tcandtc.429557

Abstract

References

[1] J.Angelo, G.Stork, J. Am. Chem. Soc. 96 (1974) 7114

There are 1 citations in total.

Details

Primary Language	English
Journal Section	Research Article
Authors	Tamilmani Selvaraj Renganathan Rajalingam This is me Viswanathan Balasubramanian
Publication Date	December 15, 2018
Submission Date	June 1, 2018
Published in Issue	Year 2018

Cite

APA	Selvaraj, T., Rajalingam, R., & Balasubramanian, V. (2018). Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study. Turkish Computational and Theoretical Chemistry, 2(2), 28-35. https://doi.org/10.33435/tcandtc.429557
AMA	Selvaraj T, Rajalingam R, Balasubramanian V. Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study. Turkish Comp Theo Chem (TC&TC). December 2018;2(2):28-35. doi:10.33435/tcandtc.429557
Chicago	Selvaraj, Tamilmani, Renganathan Rajalingam, and Viswanathan Balasubramanian. “Formation of 3-Buten-1-Ol over Metal Encapsulated ZSM-5 from Formaldehyde and Propene: A Density Functional Theory Study”. Turkish Computational and Theoretical Chemistry 2, no. 2 (December 2018): 28-35. https://doi.org/10.33435/tcandtc.429557.
EndNote	Selvaraj T, Rajalingam R, Balasubramanian V (December 1, 2018) Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study. Turkish Computational and Theoretical Chemistry 2 2 28–35.
IEEE	T. Selvaraj, R. Rajalingam, and V. Balasubramanian, “Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study”, Turkish Comp Theo Chem (TC&TC), vol. 2, no. 2, pp. 28–35, 2018, doi: 10.33435/tcandtc.429557.
ISNAD	Selvaraj, Tamilmani et al. “Formation of 3-Buten-1-Ol over Metal Encapsulated ZSM-5 from Formaldehyde and Propene: A Density Functional Theory Study”. Turkish Computational and Theoretical Chemistry 2/2 (December 2018), 28-35. https://doi.org/10.33435/tcandtc.429557.
JAMA	Selvaraj T, Rajalingam R, Balasubramanian V. Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study. Turkish Comp Theo Chem (TC&TC). 2018;2:28–35.
MLA	Selvaraj, Tamilmani et al. “Formation of 3-Buten-1-Ol over Metal Encapsulated ZSM-5 from Formaldehyde and Propene: A Density Functional Theory Study”. Turkish Computational and Theoretical Chemistry, vol. 2, no. 2, 2018, pp. 28-35, doi:10.33435/tcandtc.429557.
Vancouver	Selvaraj T, Rajalingam R, Balasubramanian V. Formation of 3-buten-1-ol over metal encapsulated ZSM-5 from formaldehyde and propene: A Density Functional Theory study. Turkish Comp Theo Chem (TC&TC). 2018;2(2):28-35.