QUANTUM MECHANICAL STUDY OF THE INSERTION REACTION BETWEEN CYCLOPROPENYLIDENE WITH R-H (R=F, OH, NH2, CH3)

QUANTUM MECHANICAL STUDY OF THE INSERTION REACTION BETWEEN CYCLOPROPENYLIDENE WITH R-H (R=F, OH, NH2, CH3)

To further reveal the reactivity of cyclopropenylidene with R-H compounds, mechanisms of four reactions between cyclopropenylidene and R-H (R=F, OH, NH2, CH3) have been systematically investigated employing the second-order Møller-Plesset perturbation theory (MP2) method. Geometry optimization, vibr...

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Auteurs principaux: JING,YING, LIU,HUI, WANG,HAILONG, YU,YANG, TAN,XIAOJUN, CHEN,YUNGANG, ZHANG,YONGLING, GU,JINSONG
Langue:English
Publié: Sociedad Chilena de Química 2013
Sujets:
Carbene
Cyclopropenylidene
Reaction mechanism
MP2 method
Accès en ligne:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072013000400068
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http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072013000400068

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