Modeling dinitrogen activation by lithium: A mechanistic investigation of the cleavage of N2 by stepwise insertion into small lithium clusters

Journal of the American Chemical Society

Volumn 131, Issue 36, 2009, Pages 13045-13053

  Roy, Debjani ^a   Navarro Vazquez, Armando ^b,c   Schleyer, Paul V R ^a  

^a UNIVERSITY OF GEORGIA   (United States)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^c UNIVERSITY OF VIGO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; BOND DISTANCE; BOND ELONGATION; CHARGE SEPARATIONS; DINITROGEN; DINITROGEN ACTIVATION; ELECTRON TRANSFER; EXOTHERMIC PROCESS; HYDROGEN STORAGE MEDIUM; INTERACTION ENERGIES; LITHIUM ATOMS; LITHIUM CLUSTERS; LITHIUM NITRIDE; MAIN-GROUP ELEMENTS; MOLECULAR NITROGEN; ROOM TEMPERATURE; TRIPLE BONDS;

CHEMICAL ACTIVATION; HYDROGEN; HYDROGEN STORAGE; NITRIDES; NITROGEN; NITROGEN FIXATION; SODIUM;

LITHIUM;

ALKALI METAL; HYDROGEN; LITHIUM; NITROUS OXIDE; POTASSIUM; REDUCING AGENT; SODIUM;

ARTICLE; CATALYST; CHEMICAL BOND; CHEMICAL REACTION; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ISOMER; NITROGEN FIXATION; REACTION ANALYSIS; REDUCTION; ROOM TEMPERATURE; SURFACE PROPERTY;

EID: 70349134761     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja902980j     Document Type: Article

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