Proton-held dimer and trimer of carbon disulfide

✍ Scribed by Kenzo Hiraoka; Susumu Fujimaki; Kazuo Aruga; Shinichi Yamabe

• Book ID: 103030991
• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 415 KB
• Volume: 202
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)85367-w

✦ Synopsis

The gas-phase clusteringreactions H+CS,(CS,)._, +CS,-+H+CS,(CS,), (n= 1,2) were studied using a pulsed electron beam high-pressure mass spectrometer. The measured bond energies of HtCS2(CS2)n with n= 1 and 2 are found to be considerably smaller than those of HfC02( COa), measured previously in our laboratory. The cluster ions H+CSs(CSs), have the proton-held dimer cation H*CS,(CS,), as a core ion, i.e. H'CS,(CS,),...(CS,),_,.

The geometries and binding energies of H+CS2(CSZ)n and H+C02(C02). with n=O-2 were determined by ab initio MO calculations. The most stable structure of H+CS2(CS2) I...CS2 has an out-of-plane geometry while that of HfC02(C02) ,...COz has an in-plane one. The nature of bonding of the cluster ions may be explained by frontier-orbital interactions.