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    • Dudekula Sharmila

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    • Volume 126 Issue 5 September 2014 pp 1597-1603 Special issue on Chemical Crystallography

      Dimetallaheteroborane clusters containing group 16 elements: A combined experimental and theoretical study

      Kiran Kumarvarma Chakrahari Rongala Ramalakshmi Dudekula Sharmila Sundargopal Ghosh

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      Recently we described the synthesis and structural characterization of various dimetallaherteroborane clusters, namely nido-[(Cp∗Mo)2B4ECl$_x$H$_{6−x}$], 1-3; (1: E = S, x = 0; 2: E = Se, x = 0; 3: E = Te, x = 1). A combined theoretical and experimental study was also performed, which demonstrated that the clusters 1-3 with their open face are excellent precursors for cluster growth reaction. In this investigation process on the reactivity of dimetallaheteroboranes with metal carbonyls, in addition to [(Cp∗Mo)2B4H6EFe(CO)3] (4: E = S, 6: E = Te) reported earlier, reaction of 2 with [Fe2(CO)9] yielded mixed-metallaselenaborane [(Cp∗Mo)2B4H6SeFe(CO)3], 5 in good yield. The quantum chemical calculation using DFT method has been carried out to probe the bonding, NMR chemical shifts and electronic properties of dimolybdaheteroborane clusters 4-6.

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