中文版 | English
Title

Cis - and trans-binding influences in [NUO center dot N-2)(n)](+)

Author
Corresponding AuthorChi, Chao-Xian; Hu, Han-Shi; Schwarz, W. H. Eugen
Publication Years
2022-08-03
DOI
Source Title
ISSN
0021-9606
EISSN
1089-7690
Volume157Issue:5Pages:054301
Abstract

Uranium nitride-oxide cations [NUO](+) and their complexes with equatorial N-2 ligands, [NUO center dot(N-2)n](+) (n = 1-7), were synthesized in the gas phase. Mass-selected infrared photodissociation spectroscopy and quantum chemical calculations confirm [NUO center dot(N-2)(5)](+) to be a sterically fully coordinated cation, with electronic singlet ground state of (1)A(1), linear [NUO](+) core, and C-5v structure. The presence of short N-U bond distances and high stretching modes, with slightly elongated U-O bond distances and lowered stretching modes, is rationalized by attributing them to cooperative covalent and dative [vertical bar N equivalent to U equivalent to O vertical bar](+) triple bonds. The mutual trans-interaction through flexible electronic U-5f6d7sp valence shell and the linearly increasing perturbation with increase in the number of equatorial dative N2 ligands has also been explained, highlighting the bonding characteristics and distinct features of uranium chemistry. Published under an exclusive license by AIP Publishing.

URL[Source Record]
Indexed By
SCI ; EI
Language
English
SUSTech Authorship
Others
Funding Project
National Natural Science Foundation[
WOS Research Area
Chemistry ; Physics
WOS Subject
Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Accession No
WOS:000835584600007
Publisher
EI Accession Number
20223212555921
EI Keywords
Chemical Bonds ; Ground State ; Positive Ions ; Quantum Chemistry ; Quantum Theory ; Synthesis (Chemical)
ESI Classification Code
Physical Chemistry:801.4 ; Chemical Reactions:802.2 ; Quantum Theory ; Quantum Mechanics:931.4
ESI Research Field
CHEMISTRY
Data Source
Web of Science
Citation statistics
Cited Times [WOS]:4
Document TypeJournal Article
Identifierhttp://kc.sustech.edu.cn/handle/2SGJ60CL/375554
DepartmentDepartment of Chemistry
Affiliation
1.Tsinghua Univ, Dept Chem, Key Lab Organo Optoelect & Mol Engn, Beijing 100084, Peoples R China
2.Ningbo Univ, Key Lab Adv Mass Spectrometry & Mol Anal Zhejiang, Ningbo 315211, Zhejiang, Peoples R China
3.East China Univ Technol, Sch Chem Biol & Mat Sci, Nanchang 330013, Jiangxi, Peoples R China
4.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Guangdong, Peoples R China
5.TU Braunschweig, Inst Organ Chem, D-38106 Braunschweig, Germany
6.Fudan Univ, Dept Chem, Shanghai Key Lab Mol Catalysis & Innovat Mat, Shanghai 200438, Peoples R China
7.Siegen Univ, Lab Phys & Theoret Chem, D-57068 Siegen, Germany
Recommended Citation
GB/T 7714
Zhao, Jing,Chi, Chao-Xian,Meng, Lu-Yan,et al. Cis - and trans-binding influences in [NUO center dot N-2)(n)](+)[J]. JOURNAL OF CHEMICAL PHYSICS,2022,157(5):054301.
APA
Zhao, Jing.,Chi, Chao-Xian.,Meng, Lu-Yan.,Jiang, Xue-Lian.,Grunenberg, Jorg.,...&Schwarz, W. H. Eugen.(2022).Cis - and trans-binding influences in [NUO center dot N-2)(n)](+).JOURNAL OF CHEMICAL PHYSICS,157(5),054301.
MLA
Zhao, Jing,et al."Cis - and trans-binding influences in [NUO center dot N-2)(n)](+)".JOURNAL OF CHEMICAL PHYSICS 157.5(2022):054301.
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