Chemical Physics Letters, volume 747, pages 137310

Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability

Publication typeJournal Article
Publication date2020-05-01
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor2.8
ISSN00092614
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.

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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.
GOST all authors (up to 50) Copy
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.
RIS |
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RIS Copy
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 -
BibTex
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BibTex Copy
@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}
}
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