UV Photoelectron Spectra and Pseudopotential “ab initio” Calculations of Some 4-Membered Cyclic Amides of Group XIV Elements
1991 ◽
Vol 46
(1)
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pp. 39-46
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Keyword(s):
Gas-phase He I and He II photoelectron spectroscopy and Pseudopotential “ab initio” calculations were used to determine the electronic structure of some 4-membered cyclic amides containing Si, Sn and Pb.The IE splitting on the non-bonding nitrogen-localized m .o .s ., nNasym(a2) and nNsym(b2), due to the “through space” interaction is critically affected by the planar ring molecular structure and the coordination of the silicon and tin atoms of the ring.The pseudopotential “ab initio” model resulted successful in describing the electronic structure of the molecules containing heavy atoms, at a Koopmans’ approximation level.
1993 ◽
Vol 97
(45)
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pp. 11673-11676
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1981 ◽
Vol 36
(11)
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pp. 1246-1252
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1979 ◽
Vol 53
◽
pp. 235-249
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2011 ◽
Vol 115
(23)
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pp. 6239-6249
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1998 ◽
pp. 3685-3692
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1984 ◽
Vol 118
(3-4)
◽
pp. 319-332
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Keyword(s):
2002 ◽
pp. 3787
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2002 ◽
Vol 106
(23)
◽
pp. 5600-5606
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Keyword(s):