Transient Raman spectra, structure, and thermochemistry of the thiocyanate dimer radical anion in water

Time-resolved resonance-enhanced Stokes and anti-Stokes Raman spectra of the thiocyanate dimer radical anion, (SCN)2 •−, prepared by pulse radiolysis in water, have been obtained and interpreted in conjunction with theoretical calculations to provide detailed information on the molecular geometry an...

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Veröffentlicht in:	The Journal of chemical physics 2017-06, Vol.146 (21), p.214305-214305
Hauptverfasser:	Janik, Ireneusz, Carmichael, Ian, Tripathi, G. N. R.
Format:	Artikel
Sprache:	eng
Schlagworte:	Anharmonicity Anions Chemical bonds Cleavage Dimers Enthalpy Frequency shift Functionals Heavy water INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Mathematical analysis Molecular structure Radiolysis Raman spectra Solvents Stretching Thermochemistry Thiocyanates Vibrational states
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