Title of article :
Molecular modeling of C60:cobaltocene and nickelocene complexes, comparison with IR absorption
Author/Authors :
Byszewski، نويسنده , , P. and Antonova، نويسنده , , K. and Kowalska، نويسنده , , E. and Radomska، نويسنده , , J. and Baran، نويسنده , , J.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2000
Pages :
7
From page :
522
To page :
528
Abstract :
C60 was reacted with cobaltocene and nickelocene. The samples of the composition C60(Cocp2)3 and C60Nicp2 were obtained in the reaction. Their thermal stability was measured by Thermogravimetry and Differential Scanning Calorimetry and the vibrational spectrum was investigated by infrared absorption. Hydrocarbon groups may be evacuated from the reaction products by annealing, while metal atoms remain dispersed between fullerenes. The experiments are compared with the molecular modeling results obtained by applying the PM3 model.
Journal title :
Chemical Physics Letters
Serial Year :
2000
Journal title :
Chemical Physics Letters
Record number :
1772291
Link To Document :
بازگشت