Consecutive Methane Activation Mediated by Single Metal Boride Cluster Anions NbB4−

2021 ◽  
Author(s):  
Ying Li ◽  
Ming Wang ◽  
Yongqi Ding ◽  
Chongyang Zhao ◽  
Jia-Bi Ma
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Room Temperature ◽  
Methane Activation ◽  
Cluster Ions ◽  
Metal Boride ◽  
Cluster Anions ◽  
Phase Cluster

Cleavage all C−H bonds in two methane molecules by gas-phase cluster ions at room temperature is a challenging task. Herein, mass spectrometry and quantum chemical calculations have been used to...

The Generation of Low-Valence Tin Derivatives, RSn(I), in the Gas-Phase by Neutralization—reionization Mass Spectrometry

2002 ◽  
Vol 8 (5) ◽  
pp. 351-357 ◽  
Author(s):  
Dmitri Zagorevskii ◽  
Yang Yuan ◽  
C. Michael Greenlief ◽  
Alexander A. Mommers
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Molecular Species ◽  
Quantum Chemical ◽  
Mass Spectra ◽  
Stable Species ◽  
The Stability ◽  
Franck Condon

Neutralization-reionization mass spectrometry (NRMS) was applied to the generation and characterization of low-valence Sn(I) derivatives. The observation of recovery signals in the NR mass spectra of RSn+ ions (R=H, Cl, Br, CH3, C2H, C6H5) demonstrated that their neutral counterparts are stable species in the gas-phase with a lifetime of at least 5 μs. According to quantum chemical calculations, a favorable Franck–Condon factor may contribute to the stability of RSn neutrals generated in the NR event. The experimental results for tin acetylide and phenyltin are the first examples of the generation of these previously unknown molecular species.

scholarly journals Ion mobility separation of deprotonated oligosaccharide isomers – evidence for gas-phase charge migration

2016 ◽  
Vol 52 (83) ◽  
pp. 12353-12356 ◽  
Author(s):  
W. B. Struwe ◽  
C. Baldauf ◽  
J. Hofmann ◽  
P. M. Rudd ◽  
K. Pagel
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Ion Mobility ◽  
Quantum Chemical ◽  
Ion Mobility Mass Spectrometry ◽  
Charge Migration ◽  
Mobility Separation ◽  
Ion Mobility Separation

Ion mobility-mass spectrometry in combination with quantum chemical calculations provides evidence that the charge in deprotonated glycan ions is mobile.

Thermochemical stabilities of the gas-phase cluster ions H3C+(N2)n

2003 ◽  
Vol 227 (3) ◽  
pp. 391-399 ◽  
Author(s):  
Kenzo Hiraoka ◽  
Kiyotoshi Takao ◽  
Fumiyuki Nakagawa ◽  
Tomoyuki Iino ◽  
Masayumi Ishida ◽  
...  
Keyword(s):  
Gas Phase ◽  
Cluster Ions ◽  
Phase Cluster

Quantum Chemical Calculations on the Reaction of Zinc and Water in Gas Phase

2013 ◽  
Vol 186 (1) ◽  
pp. 24-33 ◽  
Author(s):  
Weijuan Yang ◽  
Zhijiang Han ◽  
Junhu Zhou ◽  
Jianzhong Liu ◽  
Kefa Cen
Keyword(s):  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical

scholarly journals The influences of ammonia on aerosol formation in the ozonolysis of styrene: roles of Criegee intermediate reactions

2018 ◽  
Vol 5 (5) ◽  
pp. 172171 ◽  
Author(s):  
Qiao Ma ◽  
Xiaoxiao Lin ◽  
Chengqiang Yang ◽  
Bo Long ◽  
Yanbo Gai ◽  
...  
Keyword(s):  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Organic Aerosol ◽  
Aerosol Formation ◽  
Gas Phase Reactions ◽  
Aerosol Composition ◽  
Theoretical Methods ◽  
Criegee Intermediates ◽  
Secondary Ozonide

The influences of ammonia (NH 3 ) on secondary organic aerosol (SOA) formation from ozonolysis of styrene have been investigated using chamber experiments and quantum chemical calculations. With the value of [O 3 ] 0 /[styrene] 0 ratios between 2 and 4, chamber experiments were carried out without NH 3 or under different [NH 3 ]/[styrene] 0 ratios. The chamber experiments reveal that the addition of NH 3 led to significant decrease of SOA yield. The overall SOA yield decreased with the [NH 3 ] 0 /[styrene] 0 increasing. In addition, the addition of NH 3 at the beginning of the reaction or several hours after the reaction occurs had obviously different influence on the yield of SOA. Gas phase reactions of Criegee intermediates (CIs) with aldehydes and NH 3 were studied in detail by theoretical methods to probe into the mechanisms behind these phenomena. The calculated results showed that 3,5-diphenyl-1,2,4-trioxolane, a secondary ozonide formed through the reactions of C 6 H 5 ĊHOO· with C 6 H 5 CHO, could make important contribution to the aerosol composition. The addition of excess NH 3 may compete with aldehydes, decreasing the secondary ozonide yield to some extent and thus affect the SOA formation.

Sign in / Sign up

Export Citation Format

Share Document