Remarkable nonlinear optical response of excess electron compounds: theoretically designed alkali-doped aziridine M–(C2NH5)n

2017 ◽  
Vol 19 (35) ◽  
pp. 23951-23959 ◽  
Author(s):  
Bo Li ◽  
Chao Xu ◽  
Xuan Xu ◽  
Chaoyuan Zhu ◽  
Feng Long Gu
Keyword(s):  
Nonlinear Optical ◽  
Optical Response ◽  
Excess Electron ◽  
Nonlinear Optical Response ◽  
First Hyperpolarizability ◽  
Nlo Response ◽  
Electron Compounds

Newly theoretically designed alkali-doped aziridine M–(C2NH5)4 shows a remarkable NLO response and its first hyperpolarizability is 10 to 100 times larger than those of M@Calix[4]pyrrole.

Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response

CrystEngComm ◽  
2021 ◽  
Vol 23 (13) ◽  
pp. 2509-2512
Author(s):  
Wen-Tao Xu ◽  
Jun-Chao Liu ◽  
Yu-Ling Zeng ◽  
Hua Zhang ◽  
Zhong-Xia Wang
Keyword(s):  
Phase Transition ◽  
Hydrogen Bonding ◽  
Ionic Crystal ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
High Tc ◽  
Hydrogen Bonding Interactions ◽  
Nlo Response

An organic molecular-ionic crystal of (TPPO–H)2SO4 exhibits moderate NLO response which is twice that of KDP and competing hydrogen-bonding interactions triggered high-Tc phase transition.

scholarly journals Nonlinear optical response of endohedral all-metal electride cages 2e−Mg2+(M@E12)2−Ca2+ (M = Ni, Pd, and Pt; E = Ge, Sn, and Pb)

2019 ◽  
Vol 7 (3) ◽  
pp. 645-653 ◽  
Author(s):  
Hui-Min He ◽  
Josep M. Luis ◽  
Wei-Hong Chen ◽  
Dan Yu ◽  
Ying Li ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
Nlo Response

The endohedral all-metal electride cages 2e−Mg2+(M@E12)2−Ca2+ (M = Ni, Pd, and Pt; E = Ge, Sn, and Pb) exhibit a better NLO response.

A new strategy for simultaneously enhancing nonlinear optical response and electron stability in novel cup–saucer+–cage−-shaped sandwich electride molecules with an excess electron protected inside the cage

2015 ◽  
Vol 44 (9) ◽  
pp. 4207-4214 ◽  
Author(s):  
Jia-Jun Wang ◽  
Zhong-Jun Zhou ◽  
Yang Bai ◽  
Hui-Min He ◽  
Di Wu ◽  
...  
Keyword(s):  
Size Effect ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Excess Electron ◽  
Nonlinear Optical Response ◽  
Cage Size ◽  
New Strategy

A new strategy of utilizing the cage size effect for simultaneously enhancing the β0 and the VIP.

Second-order nonlinear optical response of phenyl-substituted cationic BIS-cyclometalated iridium(III) complexes: Effect of different position

2018 ◽  
Vol 17 (05) ◽  
pp. 1850033 ◽  
Author(s):  
Hui-Ying Wang ◽  
Li-Xue Jing ◽  
Jin-Ting Ye ◽  
Hong-Qiang Wang ◽  
Yong-Qing Qiu
Keyword(s):  
Density Functional ◽  
Nonlinear Optical ◽  
Energy Gap ◽  
Low Frequency ◽  
Dft Method ◽  
Optical Response ◽  
Second Order ◽  
Nonlinear Optical Response ◽  
Iridium Complexes ◽  
First Hyperpolarizability

In this paper, a series of cationic iridium complexes [(2-phenylpyridine)2(2,2[Formula: see text]-bipyridine)Ir][Formula: see text] which substituted phenyl on different ligands position have been systematically investigated by density functional theory (DFT) method. Significantly, the first hyperpolarizability [Formula: see text] values can be enhanced by introducing phenyl on 2-phenylpyridine ligands R1 or R2, whereas substituting phenyl on 2,2[Formula: see text]-bipyridine ligands R3 result in a decreasing [Formula: see text] values. The [Formula: see text] values exhibit obvious connection with the corresponding HOMO and LUMO energy gap. Furthermore, the time-dependent (TD) DFT calculations suggest that the enhanced [Formula: see text] values are related to obvious charge transfer from 2-phenylpyridine ligands to 2,2[Formula: see text]-bipyridine ligands. The investigation of frequency-dependent first hyperpolarizability [Formula: see text] ([Formula: see text]; [Formula: see text], 0) and [Formula: see text] ([Formula: see text]; [Formula: see text], [Formula: see text]) shown less dispersion effect at the low-frequency region for all of the studied complexes. Overall, tuning phenyl on the different ligands position can be seen as an effective strategy to modulate the second-order nonlinear optical response for these iridium complexes, which is benefit to theoretical and experimental further investigation.

scholarly journals An investigation on the second-order nonlinear optical response of cationic bipyridine or phenanthroline iridium(iii) complexes bearing cyclometallated 2-phenylpyridines with a triphenylamine substituent

2018 ◽  
Vol 47 (25) ◽  
pp. 8292-8300 ◽  
Author(s):  
Claus Hierlinger ◽  
David B. Cordes ◽  
Alexandra M. Z. Slawin ◽  
Alessia Colombo ◽  
Claudia Dragonetti ◽  
...  
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Optical Response ◽  
Second Order ◽  
Polymeric Film ◽  
Nonlinear Optical Response ◽  
Nlo Response

A novel cationic Ir(iii) complex, characterized by a large NLO response, can be incorporated into a polymeric film leading to a good second-harmonic generation.

scholarly journals Germanium-based superatom clusters as excess electron compounds with significant static and dynamic NLO response; a DFT study

RSC Advances ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 365-377
Author(s):  
Atazaz Ahsin ◽  
Ahmed Bilal Shah ◽  
Khurshid Ayub
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Excess Electron ◽  
Dft Study ◽  
Nlo Response ◽  
Zintl Clusters ◽  
Electron Compounds

Herein, the geometric, electronic, and nonlinear optical properties of excess electron zintl clusters Ge5AM3, Ge9AM5, and Ge10AM3 (AM = Li, Na, and K) are investigated.

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