Gas-phase ion—molecule reaction in an RF ion trap. Reactivity of the 5d transition series of metal ions (Lu+, Hf+, Ta+, and W+) with O2

1993 ◽  
Vol 201 (1-4) ◽  
pp. 341-344 ◽  
Author(s):  
Yukari Matsuo ◽  
Haruka Maeda ◽  
Michio Takami
2020 ◽  
Author(s):  
Oisin Shiels ◽  
P. D. Kelly ◽  
Cameron C. Bright ◽  
Berwyck L. J. Poad ◽  
Stephen Blanksby ◽  
...  

<div> <div> <div> <p>A key step in gas-phase polycyclic aromatic hydrocarbon (PAH) formation involves the addition of acetylene (or other alkyne) to σ-type aromatic radicals, with successive additions yielding more complex PAHs. A similar process can happen for N- containing aromatics. In cold diffuse environments, such as the interstellar medium, rates of radical addition may be enhanced when the σ-type radical is charged. This paper investigates the gas-phase ion-molecule reactions of acetylene with nine aromatic distonic σ-type radical cations derived from pyridinium (Pyr), anilinium (Anl) and benzonitrilium (Bzn) ions. Three isomers are studied in each case (radical sites at the ortho, meta and para positions). Using a room temperature ion trap, second-order rate coefficients, product branching ratios and reaction efficiencies are reported. </p> </div> </div> </div>


2019 ◽  
Vol 25 (1) ◽  
pp. 30-43 ◽  
Author(s):  
Qiuyan Jin ◽  
Jiaye Li ◽  
Alireza Ariafard ◽  
Allan J Canty ◽  
Richard AJ O’Hair

Gas-phase ion trap mass spectrometry experiments and density functional theory calculations have been used to examine the routes to the formation of the 1,8-naphthyridine (napy) ligated geminally dimetallated phenyl complexes [(napy)Cu2(Ph)]+, [(napy)Ag2(Ph)]+ and [(napy)CuAg(Ph)]+ via extrusion of CO2 or SO2 under collision-induced dissociation conditions from their corresponding precursor complexes [(napy)Cu2(O2CPh)]+, [(napy)Ag2(O2CPh)]+, [(napy)CuAg(O2CPh)]+ and [(napy)Cu2(O2SPh)]+, [(napy)Ag2(O2SPh)]+, [(napy)CuAg(O2SPh)]+. Desulfination was found to be more facile than decarboxylation. Density functional theory calculations reveal that extrusion proceeds via two transition states: TS1 enables isomerization of the O, O-bridged benzoate to its O-bound form; TS2 involves extrusion of CO2 or SO2 with the concomitant formation of the organometallic cation and has the highest barrier. Of all the organometallic cations, only [(napy)Cu2(Ph)]+ reacts with water via hydrolysis to give [(napy)Cu2(OH)]+, consistent with density functional theory calculations which show that hydrolysis proceeds via the initial formation of the adduct [(napy)Cu2(Ph)(H2O)]+ which then proceeds via TS3 in which the coordinated H2O is deprotonated by the coordinated phenyl anion to give the product complex [(napy)Cu2(OH)(C6H6)]+, which then loses benzene.


1978 ◽  
Vol 56 (17) ◽  
pp. 2324-2330 ◽  
Author(s):  
John Edward Fulford ◽  
Joseph Wayne Dupuis ◽  
Raymond Evans March

The gas phase ion-chemistry of dimethylsulphoxide (DMSO) and deuterated dimethylsulphoxide (DMSO-d6) has been examined using a quadrupole ion store (QUISTOR) as an ion–molecule reaction chamber. The QUISTOR results are compared with those obtained by ion trapping and high pressure mass spectrometry as reported by other workers. The performance of the QUISTOR demonstrates the versatility of the technique for ion–molecule reaction studies with variation of ambient pressure and duration of ion storage.


1989 ◽  
Vol 62 (7) ◽  
pp. 2129-2137 ◽  
Author(s):  
Satoshi Okada ◽  
Yasuo Abe ◽  
Setsuo Taniguchi ◽  
Shinichi Yamabe ◽  
Tsutomu Minato

2014 ◽  
Vol 49 (8) ◽  
pp. 692-699 ◽  
Author(s):  
Chongming Liu ◽  
Yong Zhang ◽  
Athula B. Attygalle

2019 ◽  
Vol 490 (3) ◽  
pp. 3498-3507
Author(s):  
Junfeng Zhen ◽  
Weiwei Zhang ◽  
Yuanyuan Yang ◽  
Qingfeng Zhu

ABSTRACT It is possible that fullerene–polycyclic aromatic hydrocarbon (PAH) clusters or associations of fullerenes with PAHs contain a large fraction of interstellar fullerenes in the interstellar medium. Herein, we report the formation and photofragmentation behaviour of fullerene–PAH derivatives, fullerene/9-vinylanthracene (C16H12) and fullerene/9-methylanthracene (C15H12) cluster cations. Experiments are carried out using a quadrupole ion trap in combination with time-of-flight mass spectrometry in the gas phase. The results show that fullerene (C60)/9-vinylanthracene (e.g. [(C16H12)3C60]+), fullerene (C56 and C58)/9-vinylanthracene (e.g. [(C16H12)4C56]+ and [(C16H12)4C58]+), fullerene (C60)/9-methylanthracene (e.g. [(C15H12)3C60]+), and fullerene (C56 and C58)/9-methylanthracene (e.g. [(C15H12)4C56]+ and [(C15H12)4C58]+) cluster cations, i.e. large fullerene-derived molecules, are formed in the gas phase through the ion–molecule reaction pathway. With irradiation, all fullerene–PAH-derived cluster cations lose their monomolecular groups without other fragmentation channels (e.g. dehydrogenation). The structure of newly formed fullerene–PAH-derived cluster cations and the bond energy for these adduction formation pathways are investigated with theoretical calculations. The obtained results provide a general molecular growth route towards large fullerene–PAH derivatives (e.g. large fullerene-derived molecules) with functional PAHs in a bottom-up formation process and insights into the effect of functional groups (e.g. vinyl, –C2H3, and methyl, –CH3) on their formation and photoevolution behaviours. In addition, the fullerene–PAH-derived clusters (from 83 to 170 atoms in total, or ∼2 nm in size) offer a good model of carbon dust grains, and the relevance to the nanometre-sized carbon dust grain in space is briefly discussed.


1995 ◽  
Vol 48 (2) ◽  
pp. 155 ◽  
Author(s):  
JC Sheldon ◽  
RAJ Ohair ◽  
KM Downard ◽  
S Gronert ◽  
M Krempp ◽  
...  

Dunkin, Fehsenfeld and Ferguson have reported that the gas phase reaction between H- and N2O in a flowing afterglow instrument forms HO- and N2 with medium efficiency. The potential surface (UMP2-FC/6-311++G**//RHF/6-311++G**) for the H-/N2O system confirms this to be the predominant reaction following initial approach of H- towards the central nitrogen of N2O to form unstable intermediate [H-(N2O)]. The intermediate then decomposes to HO- and N2 via a deep channel. The potential surface also shows the direct formation of adducts -O-+N(H)=N- and cis HN=NO-. However, these are formed with excess energy: the former converts principally into reactants, while the latter decomposes to HO- and N2. Ions having the formula 'HN2O-' may be formed in the gas phase by the reactions ( i ) HNO-+N2O → HN2O-+NO, and (ii) NH2-+Me3CCH2ONO → HN2O-+Me3CCH2OH. The product anion is stabilized by removal of some of its excess energy by the eliminated neutral. Evidence is presented which indicates that the product is either cis or trans HN=NO-, or a mixture of both. The characteristic ion molecule reaction of HN=NO- involves oxidative oxygen transfer to suitable neutral substrates. For example: HN2O-+CS2 → HS-+N2+COS.


2020 ◽  
Author(s):  
Oisin Shiels ◽  
P. D. Kelly ◽  
Cameron C. Bright ◽  
Berwyck L. J. Poad ◽  
Stephen Blanksby ◽  
...  

<div> <div> <div> <p>A key step in gas-phase polycyclic aromatic hydrocarbon (PAH) formation involves the addition of acetylene (or other alkyne) to σ-type aromatic radicals, with successive additions yielding more complex PAHs. A similar process can happen for N- containing aromatics. In cold diffuse environments, such as the interstellar medium, rates of radical addition may be enhanced when the σ-type radical is charged. This paper investigates the gas-phase ion-molecule reactions of acetylene with nine aromatic distonic σ-type radical cations derived from pyridinium (Pyr), anilinium (Anl) and benzonitrilium (Bzn) ions. Three isomers are studied in each case (radical sites at the ortho, meta and para positions). Using a room temperature ion trap, second-order rate coefficients, product branching ratios and reaction efficiencies are reported. </p> </div> </div> </div>


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