2018
DOI: 10.1039/c8ra01315b
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Role of NH4 ions in successive phase transitions of perovskite type (NH4)2ZnX4 (X = Cl, Br) by 1H MAS NMR and 14N NMR

Abstract: The 1H chemical shifts and the spin-lattice relaxation time, T1ρ, in the rotating frame of (NH4)2ZnX4 (X = Cl, Br) are observed in order to investigate local phenomena related to successive phase transitions.

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“…From the 13 C T 1ρ curves, the relaxation processes of (CH 3 NH 3 ) 2 CdBr 4 are affected by molecular motion described by the Bloembergen–Purcell–Pound (BPP) theory [22]. The experimental values of T 1ρ are explained by the correlation time τ C for molecular motion based on the BPP theory [22,23], (1/T 1ρ ) = 0.05( μ o /4π) 2 [γ H 2 γ C 2 ħ 2 / r 6 ][4F a + F b + 3F c + 6F d + 6F e ] where F a = τ C /[1 + ω 1 2 τ C 2 ]F b = τ C /[1 + (ω H ‒ ω C ) 2 τ C 2 ]F c = τ C /[1 + ω C 2 τ C 2 ]F d = τ C /[1 + (ω H + ω C ) 2 τ C 2 ]F e = τ C /[1 + ω H 2 τ C 2 ]. where μ o is the permeability, γ H and γ C are the respective gyromagnetic ratios for the 1 H and 13 C nuclei, r is the distance of H–C, ħ = h/2π, and ω H and ω C are the respective Larmor frequencies of 1 H and 13 C.…”
Section: Resultsmentioning
confidence: 99%
“…From the 13 C T 1ρ curves, the relaxation processes of (CH 3 NH 3 ) 2 CdBr 4 are affected by molecular motion described by the Bloembergen–Purcell–Pound (BPP) theory [22]. The experimental values of T 1ρ are explained by the correlation time τ C for molecular motion based on the BPP theory [22,23], (1/T 1ρ ) = 0.05( μ o /4π) 2 [γ H 2 γ C 2 ħ 2 / r 6 ][4F a + F b + 3F c + 6F d + 6F e ] where F a = τ C /[1 + ω 1 2 τ C 2 ]F b = τ C /[1 + (ω H ‒ ω C ) 2 τ C 2 ]F c = τ C /[1 + ω C 2 τ C 2 ]F d = τ C /[1 + (ω H + ω C ) 2 τ C 2 ]F e = τ C /[1 + ω H 2 τ C 2 ]. where μ o is the permeability, γ H and γ C are the respective gyromagnetic ratios for the 1 H and 13 C nuclei, r is the distance of H–C, ħ = h/2π, and ω H and ω C are the respective Larmor frequencies of 1 H and 13 C.…”
Section: Resultsmentioning
confidence: 99%