Guanjun Wang

Guanjun Wang
Fudan University · Department of Chemistry

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82
Publications
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1,850
Citations
Citations since 2016
43 Research Items
1224 Citations
2016201720182019202020212022050100150200250
2016201720182019202020212022050100150200250
2016201720182019202020212022050100150200250
2016201720182019202020212022050100150200250

Publications

Publications (82)
Article
The reactions of alkaline-earth metal atoms (Ca, Sr, and Ba) with carbon dioxide are investigated using matrix isolation infrared spectroscopy in solid neon. The ground-state metal atoms react with two carbon dioxide molecules to produce the oxalate complexes MC2O4 and the carbonate-carbonyl complexes OCMCO3 (M = Ca, Sr, Ba) spontaneously on anneal...
Article
The HNBeCO complex is generated via the reaction of beryllium atom with HNCO molecule in a solid neon matrix, which is identified via infrared absorption spectroscopy with isotopic substitutions. The complex is characterized to have a linear structure with a very short Be−N bond distance. Bonding analyses indicate that the complex involves an unpre...
Article
A series of coinage metal complexes in the form of TMC(CO) n ⁻ (TM=Cu, Ag, Au; n = 0-3) were generated using a laser ablation-supersonic expansion ion source in the gas phase. Mass-selected infrared photodissociation spectroscopy in conjunction with quantum chemical calculations indicated that the TMC(CO) 3 ⁻ complexes contain a linear OCTMCCO ⁻ co...
Article
Beryllium-carbon dioxide cation complexes Be(CO2)n+ are produced by a laser vaporization-supersonic expansion ion source in the gas phase. Mass-selected infrared photodissociation spectroscopy supplemented by theoretical calculations confirms that Be(CO2)4+ is a coordination saturated complex that can be assigned to a mixture of two isomers. The fi...
Article
The reactions of coinage metal atoms Cu, Ag and Au with carbon suboxide (C3O2) are studied by matrix isolation infrared spectroscopy. The weakly bound complexes TM‐η1‐C3O2 (TM=Cu, Ag, Au), in which the carbon suboxide ligand binds to the metal center in the monohapto fashion are formed as initial reaction products. The complexes subsequently isomer...
Article
The mass-selected dirhodium oxide Rh2O9⁺ was prepared from the reaction of laser ablation of rhodium atoms with O2/He mixtures. Infrared spectra of Rh2O9⁺ are measured by infrared photodissociation spectroscopy in the rhodium-oxygen and O-O stretching frequency region observed at 1254, 876 and 1536 cm⁻¹. To assign the experimental spectra, total 43...
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The [CaFe(CO)10]⁺ cation is characterized to be a coordination saturated ion where a Fe(CO)4 fragment is bonded with a Ca(CO)6 moiety through two side-on bridging carbonyl ligands. The complex is best described by the bonding interactions between a [Ca(CO)6]²⁺ dication and an [Fe(CO)4]⁻ anion forming a Fe−Ca d−d dative bond that is enhanced by the...
Article
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Heteronuclear calcium‐iron carbonyl cation complexes in the form of [CaFe(CO) n ] + (n = 5 ‐ 12) are produced in the gas phase. Infrared photodissociation spectroscopy in conjunction with quantum chemical calculations confirm that the n = 10 complex is the coordination saturated ion where a Fe(CO) 4 fragment is bonded with a Ca(CO) 6 fragment throu...
Article
The carbon chain cations H n C4O⁺ (n = 1, 2) were generated via pulsed laser vaporisation of a graphite target in supersonic expansions of helium seeded with carbon monoxide and acetylene. The infrared spectra were measured via mass-selected infrared photodissociation spectroscopy of their CO-tagged complexes [H n C4O·CO]⁺ (n = 1, 2). Their geometr...
Article
Heteronuclear BeFe(CO) 4 ‐ anion complex is generated in the gas phase, which is detected by mass‐selected infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The complex is characterized to have a Be‐Fe bonded Be‐Fe(CO) 4 ‐ structure with C 3v symmetry and all of the four carbonyl ligands bonded on the iron center....
Article
The heteronuclear BeFe(CO)4⁻ anion complex is generated in the gas phase, which is characterized to have a quite short Be−Fe bonded C3v structure. The findings imply that metal–metal bonding between s‐block and transition metals is viable under suitable coordination environment. Abstract Heteronuclear BeFe(CO)4⁻ anion complex is generated in the g...
Article
We investigate the hydrolysis of vanadium/niobium monoxide cation (VO+/NbO+) with water molecules in gas phase. The cationic argon-tagged intermediates, TMO(H2O)nArm+ (TM=V, Nb; n=1-2, m=1-2), are prepared for interrogation using infrared photodissociation spectroscopy. The structures of intermediates are elucidated by comparing with simulated spec...
Article
Infrared photodissociation spectroscopic and theoretical studies show that the coordination‐saturated Be2(CO)5⁺ cation prefers to form the structure involving an unusual end‐on and side‐on bridging carbonyl ligand with very low carbonyl stretching frequency. Abstract Homoleptic dinuclear beryllium carbonyl cation complexes have been produced and c...
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Two structural isomers containing five second-row element atoms with 24-valence electrons are generated and identified by matrix isolation infrared spectroscopy as well as quantum chemical calculations. The OCBNO complex is produced by the reaction of boron atoms with carbon monoxide and nitric oxide mixtures in solid neon, which rearranges to the...
Article
Homoleptic dinuclear beryllium carbonyl cation complexes have been produced and characterized in the gas phase. Infrared photodissociation spectroscopic and theoretical results confirm that Be 2 (CO) 5 + is a coordination saturated complex that can be assigned to a mixture of two almost isoenergetic structural isomers. Besides a beryllium-beryllium...
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The boron atoms react with carbon monoxide and dinitrogen in forming the end-on bonded NNBCO complex in solid neon or in nitrogen matrices. The NNBCO complex rearranges to the ( η 2 -N 2 )BCO isomer with a more activated side-on bonded dinitrogen ligand upon visible light excitation. ( η 2 -N 2 )BCO and its weakly CO-coordinated complexes further i...
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Beryllium atoms react with dinitrogen and carbon monoxide mixtures to form the end‐on bonded NNBeCO and side‐on bonded (η²‐N2)BeCO complexes, both of which isomerize to the more stable NBeNCO isomer, showing that the activation of N2 with fully cleaved N‐N bond can be achieved by coupling with carbon monoxide via a main group atom. Abstract The re...
Article
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The reactions of laser‐ablated beryllium atoms with dinitrogen and carbon monoxide mixtures form the end‐on bonded NNBeCO and side‐on bonded (η 2 ‐N 2 )BeCO isomers in solid argon, which are predicted by quantum chemical calculations to be almost isoenergetic. The end‐on bonded complex has a triplet ground state while the side‐on bonded isomer has...
Article
Stoichiometric Cu2O2(CO) n + (n = 3-7) clusters were generated via a laser vaporization supersonic cluster source in the gas phase and identified by infrared photodissociation spectroscopy in the C-O stretching region. The infrared spectra were interpreted, and the cluster structures were determined by density functional calculations. The ground st...
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The good side: The preparation and spectroscopic identification of the complexes NNBe(η²‐N2) and (NN)2Be(η²‐N2) and the energetically higher lying isomers Be(NN)2 and Be(NN)3 are reported. NNBe(η²‐N2) and (NN)2Be(η²‐N2) are the first examples of covalently side‐on bonded N2 adducts of a main‐group element. The analysis of the electronic structure u...
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The preparation and spectroscopic identification of the complexes NNBe( h 2 ‐N 2 ) ( B) and (NN) 2 Be( h 2 ‐N 2 ) ( C) besides the energetically higher lying isomers Be(NN) 2 ( A) and Be(NN) 3 ( D) are reported. The molecules B and C are the first examples of side‐on bonded N 2 adducts of a main‐group element. The analysis of the electronic structu...
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Homoleptic group 4 metal−carbonyl cation and neutral complexes are prepared in the gas phase and/or in solid neon matrix. Infrared spectroscopy studies reveal that both zirconium and hafnium form octa‐coordinate carbonyl neutral and cation complexes. In contrast, titanium forms only the six‐coordinate Ti(CO) 6 + and seven‐coordinate Ti(CO) 7 . Tita...
Article
Series of MOx⁻ (M = Cu, Ag, and Au; x = 1–3) complexes and one solitary kind of AgO5⁻ were generated using a magnetron sputter cluster source, and their reactions with additional O2 were studied by combining a low temperature flow reactor and a time-of-flight mass spectrometer. The structures and bonding characters of these complexes were explored...
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Bindungsszenarien: Die Synthese und spektroskopische Charakterisierung der Trisbenzolkomplexe von Strontium und Barium, M(Bz)3 (M=Sr, Ba), in einer Niedertemperatur‐Ne‐Matrix wird berichtet. Die Komplexe weisen Metall‐Ligand‐Bindungen auf, die für Übergangsmetallverbindungen typisch sind. Die gesammelten Ergebnisse deuten darauf hin, dass die schwe...
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We report the synthesis and spectroscopic identification of the trisbenzene complexes of strontium and barium M(Bz)3 (M = Sr, Ba) in low‐temperature Ne matrix. Both complexes are characterized by a D3 symmetric structure involving three equivalent η6‐bound benzene ligands and a closed‐shell singlet electronic ground state. The analysis of the elect...
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We report the isolation and spectroscopic identification of the eight-coordinated alkaline earth metal-dinitrogen complexes M(N 2) 8 (M=Ca, Sr, Ba) possessing cubic (O h) symmetry in a low-temperature neon matrix. The analysis of the electronic structure reveals that the metal-N 2 bonds are mainly due to [M(d π)]→(N 2) 8 π backdonation, which expla...
Article
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We investigate the gaseous ScO(H2O)1-3Ar+ cations prepared by laser vaporization coupled with supersonic molecule beam using infrared photodissociation spectroscopy in the O-H stretching region. The cation structures are characterized by comparing the experimentally observed frequencies with the simulated vibration spectra. We reveal that stoichiom...
Article
The gaseous TMO(CO)n⁺ (TM = Sc, Y, La) complex cations prepared via laser vaporization were mass-selected and studied by infrared photodissociation spectroscopy in the C-O stretching frequency region. The structures and vibrational frequencies were calculated by density functional theory calculations to support and interpret the experimental result...
Article
Carbonyls in the s block Conventional wisdom in chemistry distinguishes transition metals from other elements by their use of d orbitals in bonding. Wu et al. now report that alkaline earth metals can slide their electrons from s- to d-orbital bonding motifs as well (see the Perspective by Armentrout). Calcium, strontium, and barium all form coordi...
Article
We report the gas‐phase synthesis of stable 20‐electron carbonyl anion complexes of group‐3 metals TM(CO)8‐ (TM = Sc, Y, La), which are studied by mass‐selected infrared photodissociation spectroscopy. The experimentally observed species, which are the first octacarbonyl anionic complexes of a transition metal, are identified by comparison of the m...
Article
We report the gas‐phase synthesis of stable 20‐electron carbonyl anion complexes of group‐3 metals TM(CO)8‐ (TM = Sc, Y, La), which are studied by mass‐selected infrared photodissociation spectroscopy. The experimentally observed species, which are the first octacarbonyl anionic complexes of a transition metal, are identified by comparison of the m...
Article
The boron carbonyl cluster cations in the form of B3(CO)n+ (n=4-6) are produced and studied by infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. Their geometric structures are determined with the aid of density functional theory calculations. The B3(CO)4+ cation is characterized to have a D2d (OC)...
Article
Full-text available
The [ArB3O4]+, [ArB3O5]+, [ArB4O6]+ and [ArB5O7]+ cation complexes were prepared via a laser vaporization supersonic expansion ion source in the gas phase. Their vibrational spectra were measured via mass-selected infrared photodissociation spectroscopy. Spectroscopic combined with quantum chemical calculations reveals that the [ArB3O5]+, [ArB4O6]+...
Article
Fe-Zn and Co-Zn heteronuclear carbonyl cation complexes are produced via a laser vaporization supersonic cluster source in the gas phase. The dinuclear FeZn(CO)5+ and CoZn(CO)7+ cation complexes are observed to be the most intense heterodinuclear carbonyl cation species in the mass spectra. The infrared spectra are obtained via mass-selection and i...
Article
Heteronuclear transition metal carbonyl cluster cations FeM(CO)8+ (M=Co, Ni and Cu) and MCu(CO)7+ (M=Co and Ni) are produced via a laser vaporization supersonic cluster ion source in the gas phase, which are each mass-selected and studied by infrared photodissociation spectroscopy in the carbonyl stretching frequency region. Their geometric and ele...
Article
The complex (μ2-O2)PrO2 and the linear core-containing PrO2+ complexes are observed both in the gas phase by laser vaporization of Pr in He2 seeded with a pulsed 30—40% O2 stream (1-1.2 MPa) and in solid Ar matrices analyzed by matrix isolation IR and IR photodissociation spectroscopy (0.2—0.5 mJ/pulse, 850—1600 cm-1) with TOF-MS-selected [(PrO2)+(...
Article
The chemistry of lanthanides (Ln=La-Lu) is dominated by the low-valent +3 or +2 oxidation state because of the chemical inertness of the valence 4f electrons. The highest known oxidation state of the whole lanthanide series is +4 for Ce, Pr, Nd, Tb, and Dy. We report the formation of the lanthanide oxide species PrO4 and PrO2 (+) complexes in the g...
Article
Infrared photodissociation spectra are measured for mass-selected cation complexes with a chemical formula [MC7O6]+ (M=Fe, Co, Ni) formed via pulsed laser evaporation of metal target in expansions of helium gas seeded by CO. The geometries of the complexes are determined by comparison of the experimental spectra with the simulated spectra from dens...
Article
A combined experimental and theoretical study on the main-group tricarbonyls [B(CO)3] in solid noble-gas matrices and [C(CO)3]+ in the gas phase is presented. The molecules are identified by comparing the experimental and theoretical IR spectra and the vibrational shifts of nuclear isotopes. Quantum chemical ab initio studies suggest that the two i...
Article
Mass-selected heteronuclear iron-copper carbonyl cluster anions CuFe(CO)n- (n=4-7) are studied by infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. The cluster anions are produced via a laser vaporization supersonic cluster ion source. Their geometric structures are determined by comparison of the...
Article
The [M(NO)n]+ cation complexes (M = Au and Ag) are studied for exploring the coordination and bonding between nitric oxide and noble-metal cations. These species are produced in a laser vaporization supersonic ion source and probed by infrared photodissociation spectroscopy in the NO stretching frequency region using a collinear tandem time-of-flig...
Article
One of the most important classifications in chemistry and within the periodic table is the concept of formal oxidation states. The preparation and characterization of compounds containing elements with unusual oxidation states is of great interest to chemists. The highest experimentally known formal oxidation state of any chemical element is at pr...
Article
Infrared spectra of mass-selected oxygen-rich iron dioxygen complexes Fe(O2)n+ with n=3-5 are measured via infrared photodissociation spectroscopy in the gas phase. These cation complexes are produced via a laser vaporization supersonic ion source. The structures are established by comparison of the experimental spectra with the simulated spectra d...
Article
Full-text available
The infrared spectra of mass-selected mononuclear copper nitrosyl cation complexes [Cu(NO)n](+) with n = 1-5 and their argon tagged complexes are measured via infrared photodissociation spectroscopy in the nitrosyl stretching frequency region in the gas phase. The experimental spectra provide distinctive patterns allowing the determination of the g...
Article
Infrared spectra of mass-selected homoleptic cobalt carbonyl cluster cations including dinuclear Co2(CO)8+ and Co2(CO)9+, trinuclear Co3(CO)10+ and Co3(CO)11+, as well as tetranuclear Co4(CO)12+ are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The geometric structures of these complexes are deter...
Article
Infrared spectra of mass-selected mononuclear iron nitrosyl cations Fe(NO)n+ with n=1-5 and their argon tagged complexes are measured via infrared photodissociation spectroscopy in the nitrosyl stretching frequency region in the gas phase. The structures are established by comparison of the experimental spectra with the simulated spectra derived fr...
Article
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Infrared spectra of mass-selected homoleptic nickel carbonyl cluster cations including dinuclear Ni(2)(CO)(7)(+) and Ni(2)(CO)(8)(+), trinuclear Ni(3)(CO)(9)(+) and tetranuclear Ni(4)(CO)(11)(+) are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The structures are established by comparison of the e...
Article
Mononuclear and dinuclear titanium carbonyl cation complexes including Ti(CO)6+, Ti(CO)7+, TiO(CO)5+, Ti2(CO)9+ and Ti2O(CO)9+ are produced via a laser vaporization supersonic cluster source. The ions are mass selected in a tandem time-of-flight mass spectrometer and studied with infrared photodissociation spectroscopy in the CO stretching frequenc...
Article
Full-text available
An apparatus based on collinear tandem time-of-flight mass spectrometer has been designed for the measurement of infrared photodissociation spectroscopy of mass-selected ions in the gas phase. The ions from a pulsed laser vaporization supersonic ion source are skimmed and mass separated by a Wiley-McLaren time-of-flight mass spectrometer. The ion o...
Article
Infrared spectra of mass-selected homoleptic dinuclear chromium carbonyl cluster cations Cr2(CO)n+ with n=7-9 are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. The structures are established by comparison of the experimental spectra with the simulated spectra derived from density...
Article
Gold cation-water complexes with attached argon atoms are produced via a laser vaporization supersonic cluster source. The [Au(H2O)nArx]+ (n = 1-8, x = 1 or 2) complexes are each mass selected and studied by infrared photodissociation spectroscopy in the OH stretching frequency region to explore the coordination and solvation structures of the Au+...
Article
Full-text available
Infrared spectra of mass-selected homoleptic iron carbonyl cluster cations including mononuclear Fe(CO)5+ and Fe(CO)6+, dinuclear Fe2(CO)8+ and Fe2(CO)9+, and trinuclear Fe3(CO)12+ are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The structures are established by comparison of the experimental sp...
Article
Infrared spectra of mass-selected homoleptic dinuclear palladium carbonyl cluster cations Pd2(CO)n+ (n=5–8) are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The structures are established by comparison of the experimental spectra with simulated spectra derived from density functional calculations...
Article
The 18-electron rule is a fundamental rule in chemistry governing the structure and bonding of transition metal compounds. Here we report the observation of a chemically bound Ni(CO)5+ complex, which was characterized by infrared photodissociation spectroscopy and quantum chemical calculations to be a fivefold coordinated trigonal bipyramidal carbo...
Article
The infrared photodissociation spectroscopy of mass-selected mononuclear iron carbonyl anions Fe(CO)(n)(-) (n = 2-8) were studied in the carbonyl stretching frequency region. The FeCO(-) anion does not fragment when excited with infrared light. Only a single IR active band was observed for the Fe(CO)(2)(-) and Fe(CO)(3)(-) anions, consistent with t...
Article
The photo-induced isomerization reactions of ortho-, meta- and para-nitrotoluene molecules were investigated by matrix isolation infrared spectroscopy and quantum chemical calculations. Under UV irradiation of ortho-nitrotoluene in solid argon, the hydrogen atom transfer isomer was formed, as reported previously. It was found that the hydrogen atom...
Article
The reactions of beryllium atoms with dioxygen were reinvestigated by matrix isolation infrared absorption spectroscopy. Besides the previously reported linear OBeO and cyclic Be(2)O(2) molecules, two interconvertible beryllium ozonide complexes were prepared and characterized. The BeOBe(η(2)-O(3)) complex was formed on annealing, which is characte...
Article
The reactions of tantalum monoxide (TaO) and dioxide (TaO(2)) molecules with methanol in solid neon were investigated by infrared absorption spectroscopy. The ground-state TaO molecule reacted with CH(3)OH in forming the CH(3)OTa(O)H molecule via the hydroxylic hydrogen atom transfer from methanol to the metal center spontaneously on annealing. The...
Article
The reactions of molecular tantalum and niobium monoxides and dioxides with water were investigated by matrix isolation infrared spectroscopy. In solid neon, the metal monoxide and dioxide molecules reacted with water to form the MO(H(2)O) and MO(2)(H(2)O) (M = Ta, Nb) complexes spontaneously on annealing. The MO(H(2)O) complexes photochemically re...
Article
The reactions of magnesium atoms with dioxygen and dioxygen/carbon monoxide mixture have been investigated by matrix isolation infrared absorption spectroscopy. Magnesium atoms react with dioxygen in solid argon to form the inserted MgO(2) molecules under UV excitation, which were previously characterized. Annealing allows the dioxygen molecules to...
Article
The reaction of tantalum dioxide molecule with dinitrogen has been studied by matrix isolation infrared spectroscopy. The tantalum dioxide molecules produced from laser evaporation of bulk Ta(2)O(5) target reacted with dinitrogen to form the TaO(2)(eta(1)-NN)(x) (x = 1-3) complexes on annealing, in which the N(2) ligands are end-on bonded to the ta...
Article
(Chemical equation presented) Implications for methanol fuel cells: In reactions of ground-state early-transitionmetal atoms with methanol in an argon matrix, dihydrogen and methoxide salts M(OMe)2 (M = Sc, Ti, V, Nb) form through spontaneous replacement reactions. This work demonstrates that hydrogen can be directly produced from the reactions of...
Article
The copper atom reacts with dioxygen in solid argon to form a mononuclear copper dioxygen complex Cu(eta(2)-O(2))(eta(1)-O(2))(2) bearing both side-on and end-on bonded O(2) ligands. The complex is characterized as being a trisuperoxide species with the copper center in its unusual +3 oxidation state. The Cu(III) trisuperoxide complex loses an end-...
Article
A manganese atom reacts with dioxygen to form the previously characterized MnO 2 molecule in solid argon under UV-visible light irradiation. Subsequent sample annealing allows the dioxygen molecules to diffuse and to react with MnO 2 to give the (eta (2)-O 2)MnO 2 complex, which is characterized to be a side-on bonded peroxo manganese dioxide compl...
Article
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In this review, we present our recent studies on the MO + CH4 and M + CH3OH model reactions (M = transition metals) in order to provide quantitative information regarding the mechanisms for the catalytic methane-to-methanol conversion process. The reaction intermediates were trapped and probed by matrix isolation infrared absorption spectroscopy. V...
Article
The BNNO and AlNNO molecules were prepared by the reactions of laser-evaporated boron and aluminum atoms with nitrous oxide molecules in solid argon, and were identified on the basis of isotopically substituted infrared absorptions as well as theoretical calculations. Both molecules were predicted to have a 2A′ ground state with a zigzag geometry....