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2004
Theory
C 1000
52- 001
Aromatic Gold and Silver "Rings": Hydrosilver(I) and Hydrogold(I) Analogues
of Aromatic Hydrocarbons. — Quantum chemical DFT calculations at the B3LYP
level of theory indicate that the series of general formula cyclo-Mn(µ-H)n (M: Ag, Au;
n = 3—6) is stable. All cyclo-MnHn species. except cyclo-Au3H3, have the same symmetry as the respective aromatic hydrocarbons but differ in that the H atoms are in
bridging positions between the metal atoms and not in terminal positions. A number of
established criteria of aromaticity, such as structural, energetic, magnetic and chemical
criteria reveal the aromatic character of the title compounds. A comprehensive characterization of the structural, energetic, spectroscopic (IR, NMR, electronic, and photoelectron spectra) of the novel class of inorganic compounds is given. — (TSIPIS*, C.
A.; KARAGIANNIS, E. E.; KLADOU, P. F.; TSIPIS, A. C.; J. Am. Chem. Soc. 126
(2004) 40, 12916-12929; Lab. Appl. Quantum Chem., Fac. Chem., Aristotle Univ.,
GR-54006 Thessaloniki, Greece; Eng.) — W. Pewestorf
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