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Polysila analogs of aromatic hydrocarbon ions: Structures and energies of Si3H3+, Si4H,and Si5H5−
Authors:Anatoli Korkin  Mikhail Glukhovtsev  Paul von Ragu Schleyer
Institution:Anatoli Korkin,Mikhail Glukhovtsev,Paul von Ragué Schleyer
Abstract:Silicon analogs of aromatic monocyclic ions, (SiH)urn:x-wiley:00207608:media:QUA560460114:tex2gif-stack-2 ( 4 ), (SiH)urn:x-wiley:00207608:media:QUA560460114:tex2gif-stack-3 ( 5 ), and (SiH)urn:x-wiley:00207608:media:QUA560460114:tex2gif-stack-4 ( 6 ) have been studied ab initio at MP 2(full)/6-31G *. The D3h structure of Si3H3+ is the global minimum, whereas other two ions are nonplanar. The D2d structure of (SiH)urn:x-wiley:00207608:media:QUA560460114:tex2gif-stack-5 is less folded than the carbon analog and possesses a higher stabilization energy. Stabilization energies for the monocharged ions are diminished with respect to the corresponding carbons © 1993 John Wiley & Sons, Inc.
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