Resolution of ferrocene and deuterated ferrocene conformations using dynamic vibrational IR spectroscopy
نویسندگان
چکیده
منابع مشابه
Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene.
Molecular distortion of dynamic molecules gives a clear signature in the vibrational spectra, which can be modeled to give estimates of the energy barrier and the sensitivity of the frequencies of the vibrational modes to the reaction coordinate. The reaction coordinate method (RCM) utilizes ab initio-calculated spectra of the molecule in its ground and transition states together with their rel...
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Ferrocene is an organometallic molecular sandwich complex with an iron atom coordinated between two cyclopentadienyl rings. The reorientation of these rings in a process of rotational jump diffusion between multiple equilibrium sites on a circle is investigated using quasielastic neutron time of flight and backscattering spectroscopy experiments. Existing results on the ring rotation in bulk, c...
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Reactions of N-isocyaniminotriphenylphosphorane with a cyclic ketone in the presence of ferrocene carboxylic acid proceeded smoothly at room temperature and in neutral conditions to afford ferrocene-containing 1,3,4-oxadiazole derivatives in high yields. The reaction proceeded smoothly and cleanly under mild conditions and no side reactions were observed. The structures of the products were ded...
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Using the redox-active DNA conjugate (ferrocene-modified oligonucleotide 12 mer) as a probe, the novel electrochemical gene sensor, which is sensitive, convenient, and not relying on radio isotope, has been developed. Oligonucleotide (16 mer) complementary to the target (19 mer) was immobilized onto gold electrode through the specific chemisorption of successive phosphorothioates which were int...
متن کامل(2,2-Dichlorovinyl)ferrocene
The title compound, [Fe(C(5)H(5))(C(7)H(5)Cl(2))], represents a versatile building block for the preparation of π-conjugated redox-active compounds or polymetallic organometallic systems due to the presence of the electrochemically active ferrocenyl unit. It is therefore a potential starting material for the preperation of the corresponding alkyne. In the crystal, the alkenyl unit and the cyclo...
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ژورنال
عنوان ژورنال: Acta Crystallographica
سال: 2021
ISSN: ['2053-2733']
DOI: https://doi.org/10.1107/s0108767321089777