Characterization of protonated AcAlaDab and AcDabAla by IRMPD spectroscopy and molecular modeling

Batoon, Patrick; Zhang, Yuntao; Berden, Giel; Ren, Jianhua

doi:10.1016/j.ijms.2019.116178

Search citation statements

Order By: Relevance

Paper Sections

Select...

Synthesis and Characterization1

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2022

2024

Publication Types

Select...

Article3

Relationship

Self Cite0

Independent3

Authors

Journals

Cited by 3 publications

(1 citation statement)

References 58 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…S6c †) is attributed to the formation of hydrogen bonds. 22,38 The successful loading of POMs on MIL-101(Cr) is also veried by thermogravimetric analysis (TGA) and N 2 adsorption-desorption experiments. The TG curves are shown in Fig.…”

Section: Synthesis and Characterizationmentioning

confidence: 99%

Photosynthesis of urea from N₂ and CO₂ using dual active site SiW₆Mo₆@MIL-101(Cr) at room temperature

Su,

Li,

Ding

et al. 2024

J. Mater. Chem. A

View full text Add to dashboard Cite

show abstract

Section: Synthesis and Characterizationmentioning

confidence: 99%

Photosynthesis of urea from N₂ and CO₂ using dual active site SiW₆Mo₆@MIL-101(Cr) at room temperature

Su,

Li,

Ding

et al. 2024

J. Mater. Chem. A

View full text Add to dashboard Cite

show abstract

An Investigation of the Structures of [(Glycine)(1‐Methyluracil)]M⁺ Complexes (M=H, Li, Na, K) in the Gas Phase by IRMPD Spectroscopy and Theoretical Methods

Atkinson,

Fridgen

2024

ChemPhysChem

View full text Add to dashboard Cite

The presence of ions in the complexation of molecules can profoundly affect the structure, resulting in changes to functionality and stability. These non‐covalent interactions drive many biological processes both necessary and inimical and require extensive research to understand and predict their effects. Protonated and alkali metalated complexes of glycine (Gly) and 1‐methyluracil (1‐mUra) were studied using infrared multiphoton dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations. The experimental and simulated vibrational spectra were compared to help elucidate the structure of each complex. The lowest energy structure for [(Gly)(1‐mUra)]H+ consists of amine protonated Gly bound to O4 of canonical 1‐mUra through a single ionic hydrogen bond with another, intraglycine ionic hydrogen bond between the protonated amine group and the carbonyl oxygen. For [(Gly)(1‐mUra)]Li+, [(Gly)(1‐mUra)]Na+ and [(Gly)(1‐mUra)]K+, the experimental spectra are most consistent with the metal cations binding in a trigonal planar geometry with 1‐mUra bound to the metal cation via the O4 carbonyl. In [(Gly)(1‐mUra)]Li+ and [(Gly)(1‐mUra)]Na+, the metal cation is bound to canonical Gly via the carbonyl oxygen and amine nitrogen, but in [(Gly)(1‐mUra)]K+, Gly is bound through both oxygens and contains an intraglycine hydrogen bond from the hydroxyl to the amine nitrogen.

show abstract

Keggin-type SiW12 encapsulated in MIL-101(Cr) as efficient heterogeneous photocatalysts for nitrogen fixation reaction

Zhang

et al. 2022

Journal of Colloid and Interface Science

View full text Add to dashboard Cite

Characterization of protonated AcAlaDab and AcDabAla by IRMPD spectroscopy and molecular modeling

Cited by 3 publications

References 58 publications

Photosynthesis of urea from N₂ and CO₂ using dual active site SiW₆Mo₆@MIL-101(Cr) at room temperature

Photosynthesis of urea from N₂ and CO₂ using dual active site SiW₆Mo₆@MIL-101(Cr) at room temperature

An Investigation of the Structures of [(Glycine)(1‐Methyluracil)]M⁺ Complexes (M=H, Li, Na, K) in the Gas Phase by IRMPD Spectroscopy and Theoretical Methods

Keggin-type SiW12 encapsulated in MIL-101(Cr) as efficient heterogeneous photocatalysts for nitrogen fixation reaction

Contact Info

Product

Resources

About

Characterization of protonated AcAlaDab and AcDabAla by IRMPD spectroscopy and molecular modeling

Cited by 3 publications

References 58 publications

Photosynthesis of urea from N2 and CO2 using dual active site SiW6Mo6@MIL-101(Cr) at room temperature

Photosynthesis of urea from N2 and CO2 using dual active site SiW6Mo6@MIL-101(Cr) at room temperature

An Investigation of the Structures of [(Glycine)(1‐Methyluracil)]M+ Complexes (M=H, Li, Na, K) in the Gas Phase by IRMPD Spectroscopy and Theoretical Methods

Keggin-type SiW12 encapsulated in MIL-101(Cr) as efficient heterogeneous photocatalysts for nitrogen fixation reaction

Contact Info

Product

Resources

About

Photosynthesis of urea from N₂ and CO₂ using dual active site SiW₆Mo₆@MIL-101(Cr) at room temperature

Photosynthesis of urea from N₂ and CO₂ using dual active site SiW₆Mo₆@MIL-101(Cr) at room temperature

An Investigation of the Structures of [(Glycine)(1‐Methyluracil)]M⁺ Complexes (M=H, Li, Na, K) in the Gas Phase by IRMPD Spectroscopy and Theoretical Methods