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Theoretical study of the bonding in LaFe(2+), LaRu(2+) and YRu(2+)The bonding in LaFe(2+) and LaRu(2+) involves nearly equal contributions from La(+) and La(2+). The second IP of Y is larger than that of La and this leads to predominantly Y(+) + Ru(+) character in the YRu(2+) wavefunction. The remarkable stability of these systems derives from multiple d-d bonds that lead to a bond-order of between two and three. Thus the ground states of these dications, which have relatively deep molecular wells and large barriers to dissociation, have essentially infinite lifetimes with respect to unimolecular decay.
Document ID
19900034770
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Bauschlicher, Charles W., Jr.
(NASA Ames Research Center Moffett Field, CA, United States)
Langhoff, Stephen R.
(NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 14, 2013
Publication Date
September 22, 1989
Publication Information
Publication: Chemical Physics Letters
Volume: 161
ISSN: 0009-2614
Subject Category
Atomic And Molecular Physics
Accession Number
90A21825
Distribution Limits
Public
Copyright
Other

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