Electronic structures of intermolecular hydrogen bond contacts with solute in aqueous solution: glycine as a working prototype
文献情報
Zijing Lin
The intermolecular hydrogen bond (H-bond) interactions play vital roles in many biological systems. Despite continued interest, the nature of their electronic structures has remained elusive. Based on the unique features of aqueous solution, a simple model depicting the H-bond electronic states by orbital hybridizations is developed. The model is demonstrated by reproducing the experimental IR data and yielding favorable solute–solvent interactions for the prototype glycine. The H-bond state for solute H, O and N atoms is found to be characterized by sp1, sp2, and sp3 hybridizations, respectively. The model provides a new way for probing the intricate solute–solvent contacts.
おすすめジャーナル

Electroanalysis

Journal of the Indian Institute of Science

Critical Reviews in Solid State and Materials Sciences

Bioorganic & Medicinal Chemistry

Medicinal Chemistry Research

Topics in Catalysis

Atomization and Sprays

Cellulose

Herald of the Russian Academy of Sciences

Journal of Asian Natural Products Research
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