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The nature of the normal modes of [Mo-2(CN)(8)](4-)

Clark, RJH; Firth, S; Sella, A; Miskowski, VM; Hopkins, MD; (2000) The nature of the normal modes of [Mo-2(CN)(8)](4-). J CHEM SOC DALTON (17) 2928 - 2932. 10.1039/b004186f.

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Abstract

The (1)(delta -->delta*) resonance-Raman and infrared spectra of [NEt4](4)[Mo-2((CN)-C-13)(8)] have been determined and are compared with those previously reported for the natural-abundance isotopomer. The three totally symmetric resonance-enhanced Raman fundamentals of the C-12 compound in the 300-415 cm(-1) region shift to lower wavenumbers (as, of course, do the nu(CN) bands at ca. 2100 cm(-1)) and change in relative intensity upon C-13 substitution. Normal-coordinate calculations on the two isotopomers of the [Mo-2(CN)(8)](4-) ion reveal that the three modes responsible for the resonance-enhanced Raman bands are strongly mixed and of nu(MoMo), nu(MoC), and lambda(op)(MoCN) parentage, and that their intensities roughly scale with the amount of nu(MoMo) character in the modes.

Type:Article
Title:The nature of the normal modes of [Mo-2(CN)(8)](4-)
DOI:10.1039/b004186f
Keywords:RESONANCE RAMAN-SPECTRA, POTENTIAL CONSTANTS, VIBRATIONAL-SPECTRA, METAL-METAL, COMPLEXES, IONS, OCTACHLORODIRHENATE(III), OCTABROMODIRHENATE(III), DIMETALLAPOLYYNE, SPECTROSCOPY
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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