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Conformational composition of 1-butanol in matrix isolation

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IR absorption spectra of 1-butanol isolated in an argon matrix were obtained at temperatures from 10 to 50 K. The conformational behavior of 1-butanol was analyzed using the results of quantum-chemical… Click to show full abstract

IR absorption spectra of 1-butanol isolated in an argon matrix were obtained at temperatures from 10 to 50 K. The conformational behavior of 1-butanol was analyzed using the results of quantum-chemical simulation of the structure and vibrational spectra of its small clusters. We studied the conformational composition of 1-butanol in matrix isolation and showed the transformation of its structure that occurs with an increase in the matrix temperature.

Keywords: matrix isolation; butanol; matrix; composition butanol; butanol matrix; conformational composition

Journal Title: Low Temperature Physics
Year Published: 2021

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