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Singlet–triplet splitting and the activation of CH bond for (η5-C5H5)M(CO) isoelectronic fragments: A theoretical study

✍ Scribed by Ming-Der Su; San-Yan Chu

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 472 KB
Volume: 70
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1998)70:4/5<961::aid-qua42>3.0.co;2-#

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✦ Synopsis

st oxidative addition reactions to alkane C-H bonds. In contrast, a lighter transition-metal Ž . center i.e., the second row will result in a larger ⌬ E and then tend to undergo the st reductive elimination reactions of the C-H bond-forming. The results obtained are in good agreement with the available experimental results and allow a number of predictions to be made.

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