Nanosized clusters of molybdenum chlorides—Active sites in catalytic acetylene oligomerization

Calculation of the structure of new inorganic fullerenes—Mo13Cl24(C2H x )2 clusters

“…Thus, comparison of the distribution of theoreti cally determined bond lengths and vibrational fre quencies with the EXAFS and IR data [10] enables the conclusion that the theoretical structure is mainly consistent with the experimental data. It should be noted that, in our calculations of the Mo 13 Cl 26 clus ters, several slightly different structure were obtained [11]; therefore, in this case as well, we can state the exist ence of several clusters with close energies and structures.…”

“…The experimental IR spectra of the composite MoCl 2 ± 0.1 (C 30 ± 1 Н 30 ± 1 ) show the three strongest bands at 344, 268, and 1289 cm -1 [10]. Theoretically, we obtained the vibrational frequencies of the cluster in the ranges 330 and 1320 cm -1 .…”

“…Theoretical bond lengths in organometallic clusters Mo 13 Cl 24 (C 2 H 3 ) 2 and experimental (EXAFS) bond lengths in the compos ite MoCl 2 ± 0.1 (C 30 ± 1 Н 30 ± 1 ) [10] Bond length (Å) Copyright of Doklady Chemistry is the property of Springer Science & Business Media B.V. and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use.…”

“…Owing to their cage struc tures resembling nanotubes [8] and ring [9] or layered structures, these nanoclusters exhibit extraordinary elec trical and catalytic properties. Formation of 13 atom organometallic nanoclusters [Mo 13 Cl 24 (C 2 H 2 ) n ] (n = 6-7) in the MoCl 2 ± 0.1 (C 30 ± 1 Н 30 ± 1 ) composite, a product of the reaction of MoCl 5 with acetylene, has been proved by chemical analysis, MALDI TOF mass spectrometry and EXAFS and IR spectroscopy [10].…”