Mingfei Zhou

Mingfei Zhou
Fudan University · Department of Chemistry

PhD

About

353
Publications
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9,594
Citations
Citations since 2017
68 Research Items
3530 Citations
20172018201920202021202220230200400600
20172018201920202021202220230200400600
20172018201920202021202220230200400600
20172018201920202021202220230200400600

Publications

Publications (353)
Article
Imidogen (NH) is the simplest nitrogen hydride that plays an important role in combustion and interstellar chemistry, and its combination with H2O is the prototypical amidation reaction of O-H bonds involving a nitrene intermediate. Herein, we report the observation of the elusive water complex of NH, a prereaction complex associated with the amida...
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...
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The structure of the [Rh2C3]⁺ ion and its reaction with CH4 in the gas phase have been studied by infrared photodissociation spectroscopy and mass spectrometry in conjunction with quantum chemical calculations. The [Rh2C3]⁺ ion is characterized to have an unsymmetrical linear [Rh–C–C–C–Rh]⁺ structure existing in two nearly isoenergetic spin states....
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DFT calculations have been carried out for coordinatively saturated neutral and charged carbonyl complexes [M(CO)n]q where M is a metal atom of groups 2–10. The model compounds M(CO)2 (M = Ca, Sr, Ba) and the experimentally observed [Ba(CO)]⁺ were also studied. The bonding situation has been analyzed with a variety of charge and energy partitioning...
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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...
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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
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...
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The carbon suboxide anion C 3 O 2 ‐ is generated in solid neon matrix. It is characterized by infrared absorption spectroscopy as well as quantum chemical calculations to have a planar C s structure where two CO groups with significantly different bond lengths and angles are attached in a zigzag fashion to the central carbon atom. Bonding analysis...
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The carbon suboxide anion C3O2⁻ is generated in a solid neon matrix, and is characterized to have an unsymmetrical structure by the bonding interactions between a neutral CO in a triplet excited state and a doublet excited state of CCO⁻. Abstract The carbon suboxide anion C3O2⁻ is generated in solid neon matrix. It is characterized by infrared abs...
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...
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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
The reaction of atomic boron with benzene in solid neon has been investigated by matrix isolation infrared spectroscopy with isotopic substitutions as well as quantum chemical calculations. The reaction is initiated by boron atom addition to benzene in forming an η²-(1, 4) Π adduct (A). A borepinyl radical (B) formed by C-C bond insertion is also o...
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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
Through reaction of beryllium dimers with carbon monoxide, a carbonyl complex BeBeCO is formed in solid neon. Upon visible light excitation, the BeBeCO complex rearranges to a BeCOBe isomer, which further isomerizes to a low-energy BeOBeC species under UV-visible light excitation. These species are identified on the basis of infrared absorption spe...
Article
Für das multiple Radikal BeOBeC wird die Existenz einer Quartett-Carbingruppe identifiziert. Es stellt das erste Carbin-Radikal dar, das einen Quartett-Grundzustand mit drei ungepaarten Elektronen am Kohlenstoffzentrum aufweist. Abstract Through reaction of beryllium dimers with carbon monoxide, a carbonyl complex BeBeCO is formed in solid neon. U...
Article
Heteronuclear group‐3 metal‐iron carbonyl anion complexes ScFe(CO)3‐, YFe(CO)3‐, and LaFe(CO)3‐ are prepared in the gas phase and are studied by mass‐selected infrared (IR) photodissociation spectroscopy as well as quantum chemical calculations. All three anion complexes are characterized to have a metal‐metal bonded C3v equilibrium geometry with a...
Article
Heteronuclear group‐3 metal‐iron carbonyl anion complexes ScFe(CO)3‐, YFe(CO)3‐, and LaFe(CO)3‐ are prepared in the gas phase and are studied by mass‐selected infrared (IR) photodissociation spectroscopy as well as quantum chemical calculations. All three anion complexes are characterized to have a metal‐metal bonded C3v equilibrium geometry with a...
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While main group elements have four valence orbitals accessible for bonding, quadruple bonding to main group elements is extremely rare. Here we report that main group element boron is able to form quadruple bonding interactions with iron in the BFe(CO)3⁻ anion complex, which has been revealed by quantum chemical investigation and identified by mas...
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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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Landis et al . claim in their comment that Ca does not bind like a transition metal in Ca(CO) 8 . We reject their statement, which is based on a misconception of bonding models and misleading application and interpretation of quantum chemical methods for analyzing chemical bonds.
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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...
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The octacarbonyl cation and anion complexes of actinide metals [An(CO)8]+/‐ (An = Th, U) are prepared in the gas phase, which are studied by mass‐selected infrared photodissociation spectroscopy. Both the octacarbonyl cations and anions have been characterized to be saturated coordinated complexes. Quantum chemical calculations using density functi...
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Heteronuclear transition-metal-main-group element carbonyl anion complexes of AFe(CO)3- (A = Ge, Sn, Pb) are prepared by a laser vaporization supersonic ion source in the gas phase, which were studied by mass-selected infrared (IR) photodissociation spectroscopy. The geometric and electronic structures of the experimentally observed species are ide...
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The lanthanide octacarbonyl anion complexes Ln(CO)8- (Ln = Tm, Yb, Lu) were produced in the gas phase and detected by mass-selected infrared photodisso-ciation spectroscopy in the carbonyl stretching-frequency region. By comparison of the experimental CO-stretching frequencies with calculated data, which are strongly red-shifted with respect to fre...
Article
The alkali metal‐nickel carbonyl anions ENi(CO)3‐ with E = Li, Na, K, Rb, Cs have been produced and characterized by mass‐selected infrared photodissociation spectroscopy in the gas phase. The molecules are the first examples of 18‐electron transition metal complexes with alkali atoms as covalently bonded ligands. The calculated equilibrium structu...
Article
The alkali metal‐nickel carbonyl anions ENi(CO)3‐ with E = Li, Na, K, Rb, Cs have been produced and characterized by mass‐selected infrared photodissociation spectroscopy in the gas phase. The molecules are the first examples of 18‐electron transition metal complexes with alkali atoms as covalently bonded ligands. The calculated equilibrium structu...
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
BaCO+ and BaCO− were and isolated in a low-temperature neon matrix. The observed C-O stretching wavenumber for BaCO+ of 1911.2 cm−1 is the most red-shifted value measured for any metal carbonyl cations, indicating strong π backdonation of electron density from Ba+ to CO. Quantum chemical calculations indicate that BaCO+ has a 2 ground state, which...
Article
BaCO+ and BaCO− were and isolated in a low-temperature neon matrix. The observed C-O stretching wavenumber for BaCO+ of 1911.2 cm−1 is the most red-shifted value measured for any metal carbonyl cations, indicating strong π backdonation of electron density from Ba+ to CO. Quantum chemical calculations indicate that BaCO+ has a 2 ground state, which...
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The concept of oxidation state (OS) is based on the Lewis electron-pair picture, assigning all bonding electrons to the more electronegative elements. This approach is useful for bookkeeping the electrons, predicting chemical trends and guiding syntheses. Experimental and quantum-chemical results reveal a limit near +8 as the highest OS in stable n...
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The concept of oxidation state (OS) is based on the Lewis electron-pair picture, assigning all bonding electrons to the more electronegative elements. This approach is useful for bookkeeping the electrons, predicting chemical trends and guiding syntheses. Experimental and quantum-chemical results reveal a limit near +8 as the highest OS in stable n...
Article
The reactions of early lanthanide metal atoms (Ce, Pr and Nd) with carbon monoxide and nitric oxide mixtures are studied by infrared absorption spectroscopy in solid argon. The reaction intermediates and products are identified via isotopic substitution as well as theoretical frequency calculations. The results show that the reactions proceed with...
Article
Infrared photodissociation spectroscopy of anions in the form of OMFe(CO)5- (M=Sc, Y, La) indicates that all these anions involve an 18-electron [Fe(CO)4]2- building block that is bonded with the M center through two bridged carbonyl ligands. The OLaFe(CO)5- anion is determined to be a CO-tagged complex involving a [Fe(CO)4]2-[LaO]+ anion core. In...
Article
Infrared photodissociation spectroscopy of anions in the form of OMFe(CO)5- (M=Sc, Y, La) indicates that all these anions involve an 18-electron [Fe(CO)4]2- building block that is bonded with the M center through two bridged carbonyl ligands. The OLaFe(CO)5- anion is determined to be a CO-tagged complex involving a [Fe(CO)4]2-[LaO]+ anion core. In...
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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
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The organo-boron species formed from the reactions of boron atoms with acetylene in solid neon are investigated using matrix isolation infrared spectroscopy with isotopic substitutions as well as quantum chemical calculations. Besides the previously reported single C-H bond activation species, a cyclic-HBC2BH diboron species is formed via double C-...
Article
We report the preparation of UFe(CO)3(-) and OUFe(CO)3(-) complexes using a laser-vaporization supersonic ion source in the gas phase. These compounds were mass-selected and characterized by infrared photodissociation spectroscopy and state-of-the-art quantum chemical studies. There are unprecedented triple bonds between U 6d/5f and Fe 3d orbitals,...
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The neutral molecule NPrO and its anion NPrO– are produced via co-condensation of laser-ablated praseodymium atoms with nitric oxide in a solid neon matrix. Combined infrared spectroscopy and state-of-the-art quantum chemical calculations confirm that both species are pentavalent praseodymium nitride-oxides with linear structures that contain Pr≡N...
Article
We report the preparation of UFe(CO)3− and OUFe(CO)3− complexes using a laser-vaporization supersonic ion source in the gas phase. These compounds were mass-selected and characterized by infrared photodissociation spectroscopy and state-of-the-art quantum chemical studies. There are unprecedented triple bonds between U 6d/5f and Fe 3d orbitals, fea...
Article
The carbon suboxide cation C3O2+ and the protonated carbon suboxide HC3O2+/DC3O2+ were produced in the gas phase. The vibrational spectra were measured via infrared photodissociation spectroscopy of their argon- or CO-tagged complexes. Spectroscopic evidence combined with state-of-the-art quantum chemical calculations indicate that both cations hav...
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
Short interatomic distances below standard values for a single bond are usually identified with double or triple bonds. Here, we report the synthesis and spectroscopic characterization of a molecule where the distance between two beryllium atoms is shorter than a standard double bond but there is no bond. The cyclic diberyllium dioxide Be2O2 molecu...
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The experimentally known highest oxidation state of iron has been determined to be Fe(vi) so far. Here we report a combined matrix-isolation infrared spectroscopic and theoretical study of two interconvertible iron oxide anions: a dioxoiron peroxide complex [(η(2)-O2)FeO2](-) with a C2v-structure and a tetroxide FeO4(-) with a D2d tetrahedral struc...
Article
The BeO4 isomers O—Be—O—O—O and the ozonide O—Be(O3) are detected in the electronic triplet state following an Ar matrix isolation via deposition of laser evaporated Be and O2 onto a cryogenic CsI window (1064 nm fundamental of Nd:YAG laser, 4 K, 0.5—1 h).
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
Two novel isomers of BeO4 with the structures OBeOOO and OBe(O3) in the electronic triplet state have been prepared as well as the known disuperoxide complex Be(O2)2 in solid noble-gas matrices. We also report the synthesis of the oxygen-rich bis(ozonide) complex Be(O3)2 in the triplet state which has a D2d equilibrium geometry. The molecular struc...
Article
Two novel isomers of BeO4 with the structures OBeOOO and OBe(O3) in the electronic triplet state have been prepared as well as the known disuperoxide complex Be(O2)2 in solid noble-gas matrices. We also report the synthesis of the oxygen-rich bis(ozonide) complex Be(O3)2 in the triplet state which has a D2d equilibrium geometry. The molecular struc...
Article
A ground-state boron atom inserts into the C=C bond of ethylene to spontaneously form the allene-like compound H2 CBCH2 on annealing in solid neon. This compound can further isomerize to the propyne-like HCBCH3 isomer under UV light excitation. The observation of this unique spontaneous C=C bond insertion reaction is consistent with theoretical pre...
Article
A ground-state boron atom inserts into the C=C bond of ethylene to spontaneously form the allene-like compound H2CBCH2 on annealing in solid neon. This compound can further isomerize to the propyne-like HCBCH3 isomer under UV light excitation. The observation of this unique spontaneous C=C bond insertion reaction is consistent with theoretical pred...
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...