SpringerBriefs in Molecular Science

A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds

Authors: Brandán, Silvia A.

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eBook $34.99
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  • ISBN 978-94-007-5754-7
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Softcover $49.95
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About this book

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).

About the authors

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 Argentina

Table of contents (4 chapters)

  • Structural and Vibrational Properties of Chromyl Azide

    Brandán, Silvia A.

    Pages 1-19

  • Structural and Vibrational Study on Chromyl Acetate in Different Media

    Brandán, Silvia A

    Pages 21-56

  • Theoretical Study on the Structural and Vibrational Properties of Chromyl Perchlorate

    Brandán, Silvia A.

    Pages 57-73

  • Theoretical Structural and Vibrational DFT Calculations of Chromyl Thiocyanate

    Brandán, Silvia A.

    Pages 75-87

Buy this book

eBook $34.99
price for USA (gross)
  • ISBN 978-94-007-5754-7
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $49.95
price for USA
  • ISBN 978-94-007-5753-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds
Authors
Series Title
SpringerBriefs in Molecular Science
Copyright
2013
Publisher
Springer Netherlands
Copyright Holder
The Author(s)
eBook ISBN
978-94-007-5754-7
DOI
10.1007/978-94-007-5754-7
Softcover ISBN
978-94-007-5753-0
Series ISSN
2191-5407
Edition Number
1
Number of Pages
VI, 87
Number of Illustrations and Tables
8 b/w illustrations, 1 illustrations in colour
Topics