Molecular structure of first‐row transition metal dihalides from combined electron diffraction and vibrational spectroscopic analysis
作者： Magdolna Hargittai , Natalya Yu. Subbotina , Maria Kolonits , Alexander G. Gershikov
DOI: 10.1063/1.460212
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摘要: The average and equilibrium molecular geometries vibrational characteristics of MnCl2, FeCl2, CoCl2, NiCl2, MnBr2, FeBr2, CoBr2, NiBr2 have been determined by a combined analysis gas‐phase electron diffraction spectroscopic data. nozzle temperatures ranged between 960 1100 K in the experiments, paralleled with mass spectrometric control vapor composition. Four approximations examined for Hamiltonian joint analysis. overall utility has demonstrated. dynamic behavior first‐row transition metal dihalides is best described semirigid model. bond distance approximated cubic anharmonic potential. force constants Morse anharmonicity parameter can be even from data alone provided that experimental information collected to large enough scattering angles. present confirmed...
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