Metal-dependant structural families of aminomethylphosphonic acid assemblies differentiated by ion mobility mass spectrometry and density functional theory.

ABSTRACT: Herein the morphology of aminomethylphosphonic acid (AMPA)-metal aggregates are analysed by ion mobility-mass spectrometry, DFT and IRMPD spectroscopy. Matching experimental collision cross section to the DFT predicted minima allowed unambiguous assignment of [M(AMPA)(AMPA-H)]⁺ where M = Mg²⁺, Ca²⁺, and Mn²⁺. Two distinct structural families of [M(AMPA)(AMPA-H)]⁺ where M = Mg²⁺, Ca²⁺, Sr²⁺, Ba²⁺, Mn²⁺, Cu²⁺, and Zn²⁺ were differentiated by ion mobility mass spectrometry. Groupings of experimental collision cross sections were observed for a square pyramidal geometry, (M = Ca²⁺, Sr²⁺, Ba²⁺) versus a seesaw geometry (M = M

SUBMITTER: Rusli O 

PROVIDER: S-EPMC12573075 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature