A Structural and Vibrational Investigation into Chromyl Azide, Acetate, Perchlorate and Thiocyanate Compounds reviews the structural and vibrational properties of chromyl azide, acetate, perchlorate, and thiocyanate from a theoretical point of view by using Density Functional Theory (DFT) methods. These compounds are extensively used in organic syntheses and the study of their structure and spectroscopy has become fundamental.
This book evaluates the best theoretical level and basis set to reproduce the experimental data existing for those compounds. To this end, the optimized geometries and wavenumbers for the normal modes of vibration are calculated and the obtained results are compared and analyzed. Also, the nature of the different types of bonds and their corresponding topological properties of electronic charge density are systematically and quantitatively investigated by using the NBO analysis and the atoms in molecules theory (AIM).
This book evaluates the best theoretical level and basis set to reproduce the experimental data existing for those compounds. To this end, the optimized geometries and wavenumbers for the normal modes of vibration are calculated and the obtained results are compared and analyzed. Also, the nature of the different types of bonds and their corresponding topological properties of electronic charge density are systematically and quantitatively investigated by using the NBO analysis and the atoms in molecules theory (AIM).
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İçerik tablosu
Structural and Vibrational Properties of Chromyl Azide.- Structural and Vibrational Study on Chromyl Acetate in Different Media.- Theoretical Study on the Structural and Vibrational Properties of Chromyl Perchlorate.- Theoretical Structural and Vibrational DFT Calculations of Chromyl Thiocyanate.
Yazar hakkında
Silvia Antonia Brandán. Cátedra de Química General. Instituto de Química Inorgánica. Facultad de Bioquímica, Química y Farmacia. Universidad Nacional de Tucumán. Ayacucho 471. T4000CAN. San Miguel de Tucumán. Tucumán. República ArgentinaBu e-kitabı satın alın ve 1 tane daha ÜCRETSİZ kazanın!
Dil İngilizce ● Biçim PDF ● Sayfalar 87 ● ISBN 9789400757547 ● Dosya boyutu 1.1 MB ● Yayımcı Springer Netherland ● Kent Dordrecht ● Ülke NL ● Yayınlanan 2012 ● İndirilebilir 24 aylar ● Döviz EUR ● Kimlik 2666783 ● Kopya koruma Sosyal DRM
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