Structural Aspects of Hydrogen Bonding with Nitrate and Sulfate: Design Criteria for Polyalcohol Hosts
Organic hosts for oxyanion complexation can be constructed by combining two or more hydrogen bonding sites. The deliberate design of architectures for such hosts requires knowledge of the optimal geometry for the hydrogen bonds formed between the host and the guest. Important structural parameters include the O--H distance, the O--H-D angle, the X-O--H angle, and the X-O--H-D dihedral angle (H-D=hydrogen bond donor, X=any atom). This information can be obtained through the analysis of hydrogen bonding observed in crystal structures and electronic structure calculations on simple gas-phase complexes. In this chapter, we present an analysis of hydrogen bonding structural parameters for alcohol hydrogen donors and the oxygen atom acceptors in nitrate and sulfate.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 903266
- Report Number(s):
- PNNL-SA-35582; 2385; 3565; 830403000; TRN: US200719%%656
- Resource Relation:
- Related Information: Fundamentals and Applications of Anion Separations, 43-56
- Country of Publication:
- United States
- Language:
- English
Similar Records
Metal-organic frameworks from chiral square-pyramidal copper(II) complexes: Enantiospecific inclusion and perfectly polar alignment of guest and host molecules
A surprising host-guest relationship between 1,2-dichloroethane and the cesium complex of tetrabenzo-24-crown-8