We find that there is a small net gain of energy in the formation of a dimer, while otherwise the static energy of the n-mer is very close to that of n separated monomers. Comparison of calculated vibrational frequencies and bond lengths with experimental data is made whenever possible. , E-mail: compounds such as NbF, which consists of a seven-fold coordinated Nb bonded to two distorted octahedra via edge sharing.

The overall arrangement is that of a coordination polymer assisted by aurophilic and hydrogen-bonded interactions.Īn ionic force-field study of monomers, dimers and higher polymers in pentafluoride vaporsĮnergy Technology Data Exchange (ETDEWEB)Ĭicek Onem, Z. In two of the five Au positions, the atom resides on a center of inversion. Monomers, dimers, and trimers of âˆ’ in a Ba(diaza-18-crown-62+ coordination polymerĭirectory of Open Access Journals (Sweden)įull Text Available The structure of the title compound, poly, n, displays Oâ€”H.N hydrogen bonding between water molecules and cyano ligands and an unusual pattern of aurophilic interactions that yields a monomer, dimer, and trimer of âˆ’ within the same crystal structure.

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