Chemical Physics Letters, volume 747, pages 137310
Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability
1
State Key Laboratory of Fluorine & Nitrogen Chemicals, Xi’an 710065, China
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2
Xi’an modern Chemistry Research Institute, Xi’an 710065, China
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3
Publication type: Journal Article
Publication date: 2020-05-01
Journal:
Chemical Physics Letters
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor: 2.8
ISSN: 00092614
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
• LiN 12 + was generated by laser ablation at controlled experimental conditions. • The most stable structure of LiN 12 + is Li(N 2 ) 6 + , that of LiN 12 is Li(N 2 ) 4 (η 1 -N 4 ). • Stability of LiN 12 + is due to ion-induced dipole interactions between Li + and N 2 . Nitrogen-rich lithium cluster cation LiN 12 + was generated by laser ablation at specific experimental conditions and analyzed by mass spectrometry. Density functional theory calculations were conducted at the M06-2X/6-311+G(d,p) level to search for stable structures of LiN 12 + and its neutral counterpart. The results showed that the most stable structure of LiN 12 + is in the form of Li(N 2 ) 6 + with O h symmetry, while that of LiN 12 is in the form of Li(N 2 ) 4 (η 1 -N 4 ) with C 2v symmetry. Natural bond orbital analyses revealed that the stability of LiN 12 + is mainly due to the ion—induced dipole interactions between the Li + ion and N 2 molecules.
Top-30
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Ding K. et al. Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability // Chemical Physics Letters. 2020. Vol. 747. p. 137310.
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Ding K., Li T., Xu H., Li Y., Ge Z., Zhu W., Zheng W. Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability // Chemical Physics Letters. 2020. Vol. 747. p. 137310.
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TY - JOUR
DO - 10.1016/j.cplett.2020.137310
UR - https://doi.org/10.1016/j.cplett.2020.137310
TI - Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability
T2 - Chemical Physics Letters
AU - Ding, Kewei
AU - Li, Taoqi
AU - Xu, Hong-Guang
AU - Li, Yisu
AU - Ge, Zhongxue
AU - Zhu, Weiliang
AU - Zheng, Weijun
PY - 2020
DA - 2020/05/01 00:00:00
PB - Elsevier
SP - 137310
VL - 747
SN - 0009-2614
ER -
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@article{2020_Ding,
author = {Kewei Ding and Taoqi Li and Hong-Guang Xu and Yisu Li and Zhongxue Ge and Weiliang Zhu and Weijun Zheng},
title = {Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability},
journal = {Chemical Physics Letters},
year = {2020},
volume = {747},
publisher = {Elsevier},
month = {may},
url = {https://doi.org/10.1016/j.cplett.2020.137310},
pages = {137310},
doi = {10.1016/j.cplett.2020.137310}
}