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Microwave assisted furan cycloadditions: quantum-chemical reactivity assessment


Margetić, Davor; Briš, Anamarija
Microwave assisted furan cycloadditions: quantum-chemical reactivity assessment // Advances in Chemistry Research / Taylor, James, C. (ur.).
New York: Nova Science Publishers, 2012. str. 104-120


Naslov
Microwave assisted furan cycloadditions: quantum-chemical reactivity assessment

Autori
Margetić, Davor ; Briš, Anamarija

Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, znanstveni

Knjiga
Advances in Chemistry Research

Urednik/ci
Taylor, James, C.

Izdavač
Nova Science Publishers

Grad
New York

Godina
2012

Raspon stranica
104-120

ISBN
978-1-61942-524-8

Ključne riječi
Microwave, synthesis, cycloadditions, DFT calculations
(Microwave, symthesis, cycloadditions, DFT calculations)

Sažetak
In recent years organic synthesis assisted by environmentally friendly microwave (MW) irradiation came to the focus of interest of many chemists. Many research papers have been published showing the positive influence of microwave irradiation on the reactivity. However, scarce or non-existing are studies on the mechanisms of microwave action, and computational rationalization which of the reactions benefits from the microwaves. In this chapter, experimentally obtained results of furan Diels-Alder cycloadditions were studied by employment of high level quantum-chemical DFT calculations in order to predict furan reactivity and experimentally observed stereospecificities.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982933-2920 - Organski i bioorganski procesi u osnovnom i elektronski pobuđenim stanjima (Mirjana Maksić, )
098-0982933-3218 - 'Host-guest' međudjelovanja u policikličkim sustavima (Davor Margetić, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Citiraj ovu publikaciju

Margetić, Davor; Briš, Anamarija
Microwave assisted furan cycloadditions: quantum-chemical reactivity assessment // Advances in Chemistry Research / Taylor, James, C. (ur.).
New York: Nova Science Publishers, 2012. str. 104-120
Margetić, D. & Briš, A. (2012) Microwave assisted furan cycloadditions: quantum-chemical reactivity assessment. U: Taylor, James, C. (ur.) Advances in Chemistry Research. New York, Nova Science Publishers, str. 104-120.
@inbook{inbook, year = {2012}, pages = {104-120}, keywords = {Microwave, symthesis, cycloadditions, DFT calculations}, isbn = {978-1-61942-524-8}, title = {Microwave assisted furan cycloadditions: quantum-chemical reactivity assessment}, keyword = {Microwave, symthesis, cycloadditions, DFT calculations}, publisher = {Nova Science Publishers}, publisherplace = {New York} }