A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS

Cem Burak Yıldız

doi:10.20290/aubtdb.287468

TR EN

A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS

Öz

Density Functional calculations (DFT) have been used to explore the potential energy profiles of H₂, CO, and CO₂ activation reactions by vinyl carbene structure 1. The reactions of vinyl carbene 1 with CO₂ was proposed to yield a variety of possible products (3−5) depending on its selectivity. The DFT calculations established that the proposed reactions of 1 with CO₂ proceed in a concerted or stepwise manners to form 3 and 5. However, that of CO reaction occur in only concerted fashion for the proposed products 15 and 16. Furthermore, the compound 1 is found to be most reactive than 5 and 16 towards H₂ with the required lower energy barrier. Finally, the most dominant routes are determined to be formation processes of 3, 4, and 10.

Anahtar Kelimeler

Vinyl carbene,Small molecule activation,DFT,CO,CO2

Kaynakça

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Ayrıntılar

Birincil Dil

Türkçe

Konular

-

Bölüm

Araştırma Makalesi

Yazarlar

Cem Burak Yıldız
AKSARAY ÜNİVERSİTESİ
Türkiye

Yayımlanma Tarihi

7 Nisan 2017

Gönderilme Tarihi

23 Ocak 2017

Kabul Tarihi

-

Yayımlandığı Sayı

Yıl 2017 Cilt: 5 Sayı: 1

DOI

https://doi.org/10.20290/aubtdb.287468

IZ

https://izlik.org/JA44BJ92DZ

APA

Yıldız, C. B. (2017). A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler, 5(1), 91-99. https://doi.org/10.20290/aubtdb.287468

AMA

1.Yıldız CB. A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS. AUBTD-B. 2017;5(1):91-99. doi:10.20290/aubtdb.287468

Chicago

Yıldız, Cem Burak. 2017. “A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS”. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler 5 (1): 91-99. https://doi.org/10.20290/aubtdb.287468.

EndNote

Yıldız CB (01 Nisan 2017) A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler 5 1 91–99.

IEEE

[1]C. B. Yıldız, “A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS”, AUBTD-B, c. 5, sy 1, ss. 91–99, Nis. 2017, doi: 10.20290/aubtdb.287468.

ISNAD

Yıldız, Cem Burak. “A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS”. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler 5/1 (01 Nisan 2017): 91-99. https://doi.org/10.20290/aubtdb.287468.

JAMA

1.Yıldız CB. A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS. AUBTD-B. 2017;5:91–99.

MLA

Yıldız, Cem Burak. “A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS”. Anadolu Üniversitesi Bilim Ve Teknoloji Dergisi - B Teorik Bilimler, c. 5, sy 1, Nisan 2017, ss. 91-99, doi:10.20290/aubtdb.287468.

Vancouver

1.Cem Burak Yıldız. A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS. AUBTD-B. 01 Nisan 2017;5(1):91-9. doi:10.20290/aubtdb.287468

A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS

Öz

Anahtar Kelimeler

A MECHANISTIC STUDY ON THE REACTIONS OF VINYL CARBENE WITH HYDROGEN, CARBON MONOXIDE AND CARBON DIOXIDE: SHED LIGHT ON FURTHER MANIPULATIONS

Öz

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