Unusual Manipulative Effects of Spin Multiplicity and Excess Electron Number on the Structure and Nonlinear Optical Response in New Linear and Cyclic Electride Molecules with Multiexcess Electrons

2014 ◽  
Vol 118 (41) ◽  
pp. 23937-23945 ◽  
Author(s):  
Hui-Min He ◽  
Zhi-Ru Li ◽  
Ying Li ◽  
Wei-Ming Sun ◽  
Jia-Jun Wang ◽  
...  
2015 ◽  
Vol 44 (9) ◽  
pp. 4207-4214 ◽  
Author(s):  
Jia-Jun Wang ◽  
Zhong-Jun Zhou ◽  
Yang Bai ◽  
Hui-Min He ◽  
Di Wu ◽  
...  

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


2017 ◽  
Vol 19 (35) ◽  
pp. 23951-23959 ◽  
Author(s):  
Bo Li ◽  
Chao Xu ◽  
Xuan Xu ◽  
Chaoyuan Zhu ◽  
Feng Long Gu

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.


ACS Photonics ◽  
2021 ◽  
Vol 8 (2) ◽  
pp. 550-556
Author(s):  
Javier Hernandez-Rueda ◽  
Marc L. Noordam ◽  
Irina Komen ◽  
L. Kuipers

2021 ◽  
Vol 64 (9) ◽  
Author(s):  
MengYu Zong ◽  
YuQian Zu ◽  
Jia Guo ◽  
Zhen Zhang ◽  
JingJing Liu ◽  
...  

CrystEngComm ◽  
2021 ◽  
Vol 23 (13) ◽  
pp. 2509-2512
Author(s):  
Wen-Tao Xu ◽  
Jun-Chao Liu ◽  
Yu-Ling Zeng ◽  
Hua Zhang ◽  
Zhong-Xia Wang

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.


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