1. Dimetallaheteroborane clusters containing group 16 elements: A combined experimental and theoretical study.
- Author
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CHAKRAHARI, KIRAN, RAMALAKSHMI, RONGALA, SHARMILA, DUDEKULA, and GHOSH, SUNDARGOPAL
- Subjects
BORANES ,METAL clusters ,CHEMISTRY experiments ,CHEMICAL precursors ,DENSITY functional theory ,ORGANOMETALLIC chemistry - Abstract
Recently we described the synthesis and structural characterization of various dimetallaherteroborane clusters, namely nido-[(CpMo)BEClH], 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 [(CpMo)BHEFe(CO)] ( 4: E = S, 6: E = Te) reported earlier, reaction of 2 with [ Fe(CO)] yielded mixed-metallaselenaborane [(CpMo)BHSeFe(CO)], 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. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]
- Published
- 2014
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