TY - JOUR
T1 - Modulation on terahertz absorption properties in LnIII–[AgI(CN)2] networks
AU - Li, Guanping
AU - Stefanczyk, Olaf
AU - Kumar, Kunal
AU - Mineo, Yuuki
AU - Wang, Lidong
AU - Nakabayashi, Koji
AU - Yoshikiyo, Marie
AU - Chilton, Nicholas F.
AU - Ohkoshi, Shin-ichi
PY - 2024/7/7
Y1 - 2024/7/7
N2 - Molecular materials are playing a pivotal role in the advancement of prospective THz technologies. Herein, we have prepared nine isostructural coordination complexes of general formula [LnIII(H2O)3][AgI(CN)2]3 (LnAg, Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, and Dy). Vibrational spectroscopy has unveiled gradual changes in the ν(C≡N) stretching frequencies within both infrared (IR) and Raman spectra from LaAg to DyAg, stemming from incremental alterations in crystallographic unit cell parameters and volumes. Similarly, the THz spectra manifest pronounced absorption signals between 1.0 to 1.2 THz, which can be judiciously tuned by varying lanthanide(III) ion and measurement temperature. Ab initio density-functional theory (DFT) calculations of THz spectra elucidate the primary contribution from opposite translational vibrations of Ag atoms and O atoms from H2O around Ln(III) atoms. Furthermore, thin films of LnAg can achieve a large return loss in a broad bandwidth in impedance-matching simulations.
AB - Molecular materials are playing a pivotal role in the advancement of prospective THz technologies. Herein, we have prepared nine isostructural coordination complexes of general formula [LnIII(H2O)3][AgI(CN)2]3 (LnAg, Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, and Dy). Vibrational spectroscopy has unveiled gradual changes in the ν(C≡N) stretching frequencies within both infrared (IR) and Raman spectra from LaAg to DyAg, stemming from incremental alterations in crystallographic unit cell parameters and volumes. Similarly, the THz spectra manifest pronounced absorption signals between 1.0 to 1.2 THz, which can be judiciously tuned by varying lanthanide(III) ion and measurement temperature. Ab initio density-functional theory (DFT) calculations of THz spectra elucidate the primary contribution from opposite translational vibrations of Ag atoms and O atoms from H2O around Ln(III) atoms. Furthermore, thin films of LnAg can achieve a large return loss in a broad bandwidth in impedance-matching simulations.
UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85194352259&origin=inward
U2 - 10.1039/D4QI00800F
DO - 10.1039/D4QI00800F
M3 - Article
SN - 2052-1545
VL - 11
SP - 3906
EP - 3918
JO - Inorganic Chemistry Frontiers
JF - Inorganic Chemistry Frontiers
IS - 13
ER -