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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Vibronic Coupling Density: Understanding Molecular Deformation

Vibronic Coupling Density: Understanding Molecular Deformation

Kato, Tatsuhisa
Haruta, Naoki
Sato, Tohru

Paperback

Series: Springerbriefs in Molecular Science

ChemistryPhysics

ISBN10: 9811617953
ISBN13: 9789811617959
Publisher: Springer Nature
Published: Jun 19 2021
Pages: 113
Weight: 0.42
Height: 0.27 Width: 6.14 Depth: 9.21
Language: English

This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure--for example, the bond elongation of ethylene under anionization and the nonplanar structure of ammonia. Frontier molecular orbital concepts were proposed to visualize the path of chemical reactions, and conventional explanations gave students a familiarity with molecular structures in terms of the electronic state. By contrast, this book offers a more rational and more convincing path to understanding. It starts from the ab initio molecular Hamiltonian and provides systematic, rational approaches to comprehend chemical phenomena. In this way, the book leads the reader to a grasp of the quantitative evaluation of the force applied under the molecular deformation process. As well, guidelines are offered for integrating the traditional hand-waving approach of chemistry with more rational and general VCD and VCC alternatives along with the outlook for newly functionalized chemical systems.

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