安庆师范大学学报（自然科学版）2026，Vol.32Issue(2)：72-78,7.DOI:10.13757/j.cnki.cn34-1328/n.2026.02.010
氢键-卤键协同溴化铅杂化晶体:结构与介电弛豫
Hydrogen Bond-Halogen Bond Synergy in a Lead Bromide Hybrid Crystal:Structure and Dielectric Relaxation
摘要
Abstract
Organic-inorganic lead-halide hybrids with tunable lattices have attracted sustained interest due to their excep-tional optoelectronic performance.In this study,we present a novel hybrid crystal,[2'-fluorobenzaldehyde-1-aminopyridini-um][Pb2Br6](1,P(1)),which is composed of edge-sharing one-dimensional[Pb2Br6]∞ double chains and two distinct fluorine-substituted Schiff-base cations(denoted as F1 and F2).Single-crystal diffraction combined with DFT calculations reveal that the F1 cation,which has a narrower HOMO-LUMO gap(3.64 eV),dominates lattice stabilization via stronger hydrogen bond-ing.In contrast,the F2 cation participates in supramolecular assembly via rare C-F…π and Pb-Br…π halogen bonds.An anomalously long Pb2-Br3 bond(3.457 Å)induces pronounced octahedral distortion of the Pb2Br6 motif.The Bode plot shows ideal capacitive behavior below 60 ℃ and a resistive-capacitive response between 60 ℃ and 180 ℃.Dielectric modu-lus analysis reveals two thermally activated relaxations:the low-frequency process(Eact,1=79.2 kJ·mol-1)originates from the reorganisation of polyhalogen bonds and π…π stacking,while the high-frequency process(Eact,2=108.7 kJ·mol-1)is attribut-ed to the local rupture and reformation of the hydrogen-bond network.This work demonstrates that halogen-site engineering can precisely modulate the non-covalent hierarchy and dielectric response of hybrid lattices,offering a rational route towards high-performance lead-halide dielectrics.关键词
杂化晶体/溴化铅/2'-氟苯甲醛-1-氨基吡啶鎓/卤键/介电弛豫Key words
hybrid crystal/lead bromide/2'-fluorobenzaldehyde-1-aminopyridinium/halogen bonding/dielectric relaxation分类
化学化工引用本文复制引用
郭玉,盛杰,张子豪,凡宇乐,陈太杰,汪婕,赵顺平..氢键-卤键协同溴化铅杂化晶体:结构与介电弛豫[J].安庆师范大学学报（自然科学版）,2026,32(2):72-78,7.基金项目
安徽省高等学校科研计划编制项目(2024AH051121)和安徽省大学生创新创业训练计划项目(S202510372072,S202510372086) （2024AH051121）
