The pyrolysis of isoxazole revisited: A new primary product and the pivotal role of the vinylnitrene. A low-temperature matrix isolation and computational study

Journal of the American Chemical Society

Volumn 133, Issue 46, 2011, Pages 18911-18923

  Nunes, Cláudio M ^a   Reva, Igor ^a   Pinho E Melo, Teresa M V D ^a   Fausto, Rui ^a   Šolomek, Tomáš ^b,c   Bally, Thomas ^b  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b UNIVERSITY OF FRIBOURG   (Switzerland)

^c MASARYK UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CAS-SCF; CLOSED SHELLS; COMPUTATIONAL STUDIES; DECOMPOSITION PRODUCTS; HIGHER TEMPERATURES; ISOXAZOLES; KETENIMINES; LOW TEMPERATURES; MATRIX ISOLATION; OPEN-SHELL; PRECURSOR MOLECULES; PYROLYSIS TEMPERATURE; QUANTUM CHEMICAL CALCULATIONS; THEORETICAL STUDY;

QUANTUM CHEMISTRY;

PYROLYSIS;

AZIRINE DERIVATIVE; CARBONYL DERIVATIVE; ISOXAZOLE DERIVATIVE; KETENE DERIVATIVE; METHYL GROUP; NITRO DERIVATIVE; OXAZOLE DERIVATIVE; VINYL DERIVATIVE;

ARTICLE; CALCULATION; DECOMPOSITION; HIGH TEMPERATURE; ISOMERIZATION; LOW TEMPERATURE; MATHEMATICAL COMPUTING; PYROLYSIS; QUANTUM CHEMISTRY; SPECTROSCOPY; THEORETICAL STUDY; VIBRATION;

EID: 83055186836     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja207717k     Document Type: Article

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