Spectroscopy and Computation of Hydrogen-Bonded Systems

Spectroscopy and Computation of Hydrogen-Bonded Systems provides a comprehensive spectroscopic view of the state-of-the-art in theoretical and experimental hydrogen bonding research. It explores the key quantitative relationships between fundamental vibrational frequencies and hydrogen-bond length/strength and offers an extensive reference for the advancement of scientific knowledge on hydrogen-bonded systems.

Format: Hardback
Length: 544 pages
Publication date: 08 February 2023
Publisher: Wiley-VCH Verlag GmbH

Spectroscopy and Computation of Hydrogen-Bonded Systems: A Comprehensive View of the State-of-the-Art in Theoretical and Experimental Hydrogen Bonding Research

Spectroscopy and Computation of Hydrogen-Bonded Systems presents a comprehensive exploration of the forefront of theoretical and experimental hydrogen bonding research, encompassing a wide range of experimental and computational methodologies employed to investigate and understand hydrogen bonding. This work delves into the fundamental quantitative relationships between vibrational frequencies and hydrogen-bond length/strength, offering an extensive reference for advancing scientific knowledge in the field of hydrogen-bonded systems.

Theoretical models of vibrational landscapes in hydrogen-bonded systems, as well as related studies aimed at interpreting intricate spectral features in gaseous complexes, liquids, crystals, ices, polymers, and nanocomposites, serve to elucidate the origins of spectroscopic findings. Results of experimental and theoretical studies on multidimensional proton transfer are also presented.

Edited by two highly qualified researchers in the field, Spectroscopy and Computation of Hydrogen-Bonded Systems covers a diverse range of sample topics, including:

Quantum-mechanical treatments of tunneling-mediated pathways and molecular-dynamics simulations of structure and dynamics in hydrogen-bonded systems.

Mechanisms of multiple proton-transfer pathways in hydrogen-bonded clusters and modern spectroscopic tools with synergistic quantum-chemical analyses.

Mechanistic investigations of deuterium kinetic isotope effects, ab initio path integral methods, and molecular-dynamics simulations.

Key relationships that exist between fundamental vibrations and hydrogen-bonding properties.

By presenting a comprehensive overview of the latest advancements in theoretical and experimental hydrogen bonding research, Spectroscopy and Computation of Hydrogen-Bonded Systems serves as a valuable resource for researchers, students, and professionals in the field. It provides a deeper understanding of the complex dynamics and interactions underlying hydrogen bonding, paving the way for further discoveries and applications in various scientific and technological domains.

Weight: 1170g
Dimension: 249 x 177 x 32 (mm)
ISBN-13: 9783527349722