Infrared spectrum of the disilane cation (Si2H6+) from Ar-tagging spectroscopy.
作者： Marco Savoca , Martin Andreas Robert George , Judith Langer , Otto Dopfer
DOI: 10.1039/C2CP43773B
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摘要: The infrared spectrum of the disilane cation, Si2H6+, in its 2A1g ground state is inferred from photodissociation cold Si2H6+–Arn complexes (n = 1, 2). Vibrational analysis consistent with a D3d symmetric structure H3SiSiH3+ generated by ionization bonding σSiSi orbital. Structural, vibrational, and electronic properties Si2H6(+) Si2H6+–Ar1,2 are determined at MP2/aug-cc-pVTZ B3LYP/aug-cc-pVTZ levels. Ar ligands bind weakly C3 axis on opposite sides to Si2H6+ only minor impact properties. calculations reveal low-energy H2SiHSiH3+ isomer Cs symmetry Si–H–Si bridge, which ∼15 kJ mol−1 above structure.
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tu-berlin.de参考文章(55)
M. Okumura, L. I. Yeh, J. D. Myers, Yuan T. Lee, Infrared spectra of the solvated hydronium ion: Vibrational predissociation spectroscopy of mass-selected H3O+.cntdot.(H2O)n.cntdot.(H2)m The Journal of Physical Chemistry. ,vol. 94, pp. 3416- 3427 ,(1990) , 10.1021/J100372A014
Rachael A. Relph, Joseph C. Bopp, Joseph R. Roscioli, Mark A. Johnson, Structural characterization of (C2H2)1–6+ cluster ions by vibrational predissociation spectroscopy Journal of Chemical Physics. ,vol. 131, pp. 114305- 114305 ,(2009) , 10.1063/1.3212595
Gary E. Douberly, Allen M. Ricks, Paul v. R. Schleyer, Michael A. Duncan, Infrared spectroscopy of gas phase C3H5+: The allyl and 2-propenyl cations Journal of Chemical Physics. ,vol. 128, pp. 021102- 021102 ,(2008) , 10.1063/1.2828553
Rouslan V. Olkhov, Sergey A. Nizkorodov, Otto Dopfer, Infrared photodissociation spectra of CH3+–Arn complexes (n=1–8) Journal of Chemical Physics. ,vol. 108, pp. 10046- 10060 ,(1998) , 10.1063/1.476465
Otto Dopfer, Rouslan V. Olkhov, John P. Maier, Infrared photodissociation spectra of the C–H stretch vibrations of C6H6+–Ar, C6H6+–N2, and C6H6+–(CH4)1–4 Journal of Chemical Physics. ,vol. 111, pp. 10754- 10757 ,(1999) , 10.1063/1.480492
Otto Dopfer, Rouslan V. Olkhov, John P. Maier, Microsolvation of the methyl cation in neon: Infrared spectra and ab initio calculations of CH3 + -Ne and CH3 + -Ne2 Journal of Chemical Physics. ,vol. 112, pp. 2176- 2186 ,(2000) , 10.1063/1.480783
Alexander Patzer, Shamik Chakraborty, Nicola Solcà, Otto Dopfer, IR Spectrum and Structure of the Phenyl Cation Angewandte Chemie. ,vol. 49, pp. 10145- 10148 ,(2010) , 10.1002/ANIE.201006357
Vijay Kumar, Yoshiyuki Kawazoe, Hydrogenated silicon fullerenes: effects of H on the stability of metal-encapsulated silicon clusters. Physical Review Letters. ,vol. 90, pp. 055502- ,(2003) , 10.1103/PHYSREVLETT.90.055502
Allen M. Ricks, Gary E. Douberly, Paul v. R. Schleyer, Michael A. Duncan, Communications: Infrared spectroscopy of gas phase C3H3+ ions: The cyclopropenyl and propargyl cations Journal of Chemical Physics. ,vol. 132, pp. 051101- 051101 ,(2010) , 10.1063/1.3298881
D. M. Smith, P. M. Martineau, P. B. Davies, Infrared laser absorption spectroscopy of the SiH + 3 cation Journal of Chemical Physics. ,vol. 96, pp. 1741- 1747 ,(1992) , 10.1063/1.462129