Crystal structure characterization, lattice potential energy, conductivity relaxation and electric conduction mechanisms of the new alkaline earth metal organic-inorganic hybrid, [(CH₂)₇(NH₃)₂] CaCl₄ are presented. The new hybrid crystallizes in a triclinic system (S.G. P‾1) with two molecules per asymmetric unit cell (Z = 2). Crystallographic parameters are: a = 7.029 Å, b = 8.003 Å, c = 14.039 Å, α = 65.43°, β = 69.99°, γ = 61.39°, the calculated volume and density are 620.3 A³ and 1.68 Mgm⁻³ respectively. Room temperature lattice potential energy is ΔU_pot = 1932.34 (kJ/mol.) and enthalpy change ΔH = 453.8 (kJ/mol.). DSC results indicated weak peaks at T₇ = 239 ± 1 K, T₆ ∼ 258.6 ± 0.5 K, a sharp λ-like peak typical of first order T₅∼ 266.5 ± 0.5 K, a commensurate to incommensurate at T₄ = 279 K, an incommensurate to unmodulated at T₃ = 283 ± 1 K, and a chain melting transition is noted with minor peak at T₂ = 326.5 K and major one at T₁ = 329.3 K. Dielectric constant measurements in the temperature range (170–420) K and frequency range 60 Hz- 40 kHz confirmed the DSC transitions. It is characterized by a nearly temperature and frequency independent background of low dielectric constant (ε’) except at the transitions and at T ≥ 344 ± 2 K where frequency dispersion takes place. At high temperatures, calculated conductivity relaxation energy and relaxation time, are ΔE = 0.78 eV and (τ_ο) = 7.81614 × 10⁻¹⁴ s respectively. Fit of frequency dependent ac-conductivity to super-linear power law σ_tot = σ_dc + A₁ω^s1+ A₂ω^s2 shows different conduction mechanisms in the different temperature ranges (phases). Overlap large polaron tunneling (OLPT) of small radius dominates in the temperature range (240–290) K, it is very sensitive to the phase transitions in this temperature range where the polaron radius varies as the phase changes, which is reflected as small variations of the fitting parameters. In phase VIII (T < 239 K), phase III (295 < T(K) < 326.5) and phase II (327 < T(K) < 339); quantum mechanical tunneling (QMT) is the conduction mechanism. The lower value of the fitting parameters in phase (II) indicates stronger interaction between mobile ions with the lattice than phase (III). At higher temperatures correlated barrier (CBH) hopping prevails. Comparison to other transition metal hybrids of the same organic chain is discussed.

介绍了新型碱土金属有机-无机杂化物[(CH ₂ ) ₇ (NH ₃ ) ₂ ] CaCl _{4 的}晶体结构表征、晶格势能、电导弛豫和导电机制。新的杂化物在三斜晶系 (SG P‾1) 中结晶，每个不对称晶胞 ( Z  = 2)有两个分子。晶体学参数为：a  = 7.029 Å, b  = 8.003 Å, c  = 14.039 Å, α  = 65.43°, β  = 69.99°, γ  = 61.39°，计算出的体积和密度分别为 620.3 A ³和 1.68 Mg m^-3分别。室温晶格势能为ΔU _pot  = 1932.34 (kJ/mol.) 和焓变ΔH  = 453.8 (kJ/mol.)。DSC 结果表明在T ₇  = 239 ± 1 K、T ₆ ∼ 258.6 ± 0.5 K处有弱峰，一阶T ₅ ∼ 266.5 ± 0.5 K典型的尖锐 λ 状峰，与T ₄  = 279 K处不相称在一个不适应于未调制Ť ₃  = 283±1 K，和链熔融转变在含有次要峰注意到Ť ₂  = 326.5 K和一个主要在Ť ₁ = 329.3 K。在 (170–420) K 温度范围和 60 Hz-40 kHz 频率范围内的介电常数测量证实了 DSC 转变。它的特点是几乎与温度和频率无关的低介电常数 ( ε' )背景，除了在转变和T  ≥ 344 ± 2 K 时发生频率色散。在高温下，计算出的电导弛豫能和弛豫时间分别为ΔE  = 0.78 eV 和 ( τ _ο ) = 7.81614 × 10 ^-14  s。频率相关交流电导率与超线性幂律的拟合σ _tot  =  σ _dc  +  A ₁ ω^s1 + A ₂ ω ^s2显示了不同温度范围（相）下的不同传导机制。小半径重叠大极化子隧穿 (OLPT) 在温度范围 (240–290) K 内占主导地位，它对该温度范围内的相变非常敏感，其中极化子半径随相变化而变化，反映为小变化拟合参数。在第八阶段（T < 239 K）、第三阶段（295 < T(K) < 326.5）和第二阶段（327 < T(K) < 339）；量子力学隧穿 (QMT) 是传导机制。相 (II) 中拟合参数的较低值表明流动离子与晶格之间的相互作用比相 (III) 更强。在较高温度下，相关势垒 (CBH) 跳跃占优势。讨论了与相同有机链的其他过渡金属杂化物的比较。