Exploring Multidimensional Lead Halide Perovskites Using Ultra−wideline 35/37Cl NMR Spectroscopy

24 December 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We report a rapid solid−state 35/37Cl NMR strategy for 3D organic−inorganic hybrid and low−dimensional (2D and 0D) all−inorganic lead−based perovskites embracing ultra-wideline acquisition approaches and moderate to ultrahigh magnetic fields. The observed quadrupolar NMR parameters (CQ and η), supported by GIPAW−DFT computations, revealed distinct features for unique local Cl environments with the variation of the A−site and dimensionality. 35Cl CQ values display the potential for becoming an informative probe of distinct Cl chemical environments.

Keywords

SSNMR
Perovskite
Halide
Cl-35/37
wideline NMR
metal halide materials
structure
DFT

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