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

Year 2018, Volume: 2 Issue: 2, 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, Volume: 2 Issue: 2, 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 Volume: 2 Issue: 2

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.
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Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)