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Chemical bonding involving d-orbitals

✍ Scribed by Cundari, Thomas R.


Book ID
120978823
Publisher
Royal Society of Chemistry
Year
2013
Tongue
English
Weight
328 KB
Volume
49
Category
Article
ISSN
1359-7345

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✦ Synopsis


The landmark 1954 J. Chem. Soc. paper by Craig et al. exploring the role of d-orbitals in chemical bonding is discussed. This paper set the agenda for discussions that continue until the present about topics in inorganic chemistry such as hypervalency, arguably the most significant bonding phenomenon to differentiate the chemistry of the 2p main group elements from their heavier congeners.


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Multireference configuration interaction wave functions with single and double excitations were calculated for the ' Z; ground state of the C, molecule and the excited states of C z with symmetries ' 2:. ' 2 ; , 211u, and 211x. The corresponding ug, uu, T,, and vx valence Dyson orbitals were calcul