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Volumn 13, Issue 41, 2011, Pages 18379-18385

Evidence for hydrogen bond network formation in microsolvated clusters of Pt(CN)42-: Collision induced dissociation studies of Pt(CN)42-·(H2O)nn = 1-4, and Pt(CN)42-·(MeCN)mm = 1, 2 cluster ions

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EID: 80054046230     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c1cp21538h     Document Type: Article
Times cited : (5)

References (50)
  • 37
    • 80054023544 scopus 로고    scopus 로고
    • University of York, It is important to emphasise two points relating to quadrupole ion-trap CID. Firstly, due to the nature of the excitation process, 35,36 the lowest energy fragment ions to be produced will be associated with the lowest energy decomposition pathway of the system. Secondly, excitation only occurs for a single mass at one time, i.e. the selected parent cluster ion in our experiment. It is not therefore possible that sequential solvent loss occurs by CID of initially formed cluster fragment ion which is subsequently fragmented so that intermediate clusters are not observed
    • E. M. Milner, MSc thesis, University of York, 2010
    • (2010) MSc Thesis
    • Milner, E.M.1
  • 44
    • 66149166194 scopus 로고    scopus 로고
    • Initial trial structures were refined in Spartan 08, 47 using molecular mechanics based on the Merck Molecular Force field (MMFF94). 48 Selected structures were then fully optimized at the B3LYP level using the LANL2DZ basis and effective core potential for Pt and the 6-31+G* basis on the remaining atoms (LACVP+*). We note that it will be desirable to improve on the basis set used here in any subsequent studies, since the inclusion of polarization functions is important for anionic systems. The structures displayed in Fig. 4 did not display any negative frequencies and therefore represent true minima at this level, and relative energies presented on the figure have been corrected for zero point energy
    • D. J. Goebbert T. Wende R. Bergmann G. Meijer K. R. Asmis J. Phys. Chem. A 2009 113 5874
    • (2009) J. Phys. Chem. A , vol.113 , pp. 5874
    • Goebbert, D.J.1    Wende, T.2    Bergmann, R.3    Meijer, G.4    Asmis, K.R.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.