Infrared and
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            aman Spectra of Inorganic and Coordination Compounds

Nakamoto, Kazuo

doi:10.1002/0470027320.s4104

Cited by 3,561 publications

(1,478 citation statements)

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“…More importantly, theory and experiment are in excellent agreement on the values and the trends of the vibrational shifts. We can therefore conclude that Au + (CO) 3 has a trigonal planar structure and Au + -(CO) 4 has a tetrahedral structure.…”

Section: Discussionmentioning

confidence: 77%

“…10 Analysis of the calculated and experimental data shows that the C-O stretching frequency is higher in the bound than in the free CO molecule, with an interesting dependence of the magnitude of the frequency shift on the number of CO molecules bound to Au + . This trend in computed ∆ν can be summarized as Au + (CO) 2 > Au + (CO) > Au + (CO) 3 > Au + (CO) 4 . The frequency of the C-O stretch increases upon binding of CO to Au + by about 100 cm -1 .…”

Section: Resultsmentioning

confidence: 86%

“…Infrared and Raman vibrational spectroscopy of metal carbonyls provides a convenient probe of their chemical environment. 4 Gas-phase metal carbonyl ions have been studied extensively in mass spectrometry, [5][6][7] and the structures and bonding of these ions have been investigated with theory. [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] The reactions of carbonyl ions have been well characterized, and bond energies have been determined, [21][22][23][24][25][26][27][28][29][30][31] but there is much less data on their spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

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IR Photodissociation Spectroscopy and Theory of Au⁺(CO)_n Complexes: Nonclassical Carbonyls in the Gas Phase

et al. 2008

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Au+(CO)n complexes are produced in the gas phase via pulsed laser vaporization, expanded in a supersonic jet, and detected with a reflectron time-of-flight mass spectrometer. Complexes up to n = 12 are observed, with mass channels corresponding to the n = 2 and n = 4 showing enhanced intensity. To investigate coordination and structure, individual complexes are mass-selected and probed with infrared photodissociation spectroscopy. Spectra in the carbonyl stretching region are measured for the n = 3−7 species, but no photodissociation is observed for n = 1, 2 due to the strong metal cation-ligand binding. The carbonyl stretch in these systems is blue-shifted 50−100 cm-1 with respect to the free CO vibration (2143 cm-1), providing evidence that these species are so-called "nonclassical" metal carbonyls. Theory at the MP2 and CCSD(T) levels provides structures for these complexes and predicted spectra to compare to the experiment. Excellent agreement is obtained between experiment and theory, establishing that the n = 3 complex is trigonal planar and the n = 4 complex is tetrahedral. Disciplines Chemistry CommentsReprinted (adapted) ReceiVed: NoVember 21, 2007; In Final Form: December 18, 2007 Au + (CO) n complexes are produced in the gas phase via pulsed laser vaporization, expanded in a supersonic jet, and detected with a reflectron time-of-flight mass spectrometer. Complexes up to n ) 12 are observed, with mass channels corresponding to the n ) 2 and n ) 4 showing enhanced intensity. To investigate coordination and structure, individual complexes are mass-selected and probed with infrared photodissociation spectroscopy. Spectra in the carbonyl stretching region are measured for the n ) 3-7 species, but no photodissociation is observed for n ) 1, 2 due to the strong metal cation-ligand binding. The carbonyl stretch in these systems is blue-shifted 50-100 cm -1 with respect to the free CO vibration (2143 cm -1 ), providing evidence that these species are so-called "nonclassical" metal carbonyls. Theory at the MP2 and CCSD(T) levels provides structures for these complexes and predicted spectra to compare to the experiment. Excellent agreement is obtained between experiment and theory, establishing that the n ) 3 complex is trigonal planar and the n ) 4 complex is tetrahedral.

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Section: Discussionmentioning

confidence: 77%

Section: Resultsmentioning

confidence: 86%

Section: Introductionmentioning

confidence: 99%

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IR Photodissociation Spectroscopy and Theory of Au⁺(CO)_n Complexes: Nonclassical Carbonyls in the Gas Phase

et al. 2008

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“…A broad band at 3565 cm À1 in addition to a medium to high intense band at 850 cm À1 is attributed to the symmetric and antisymmetric-OH stretching modes of coordinated water [26]. The unaltered position of the n(C]O) (carbonyl) confirms noninvolvement in coordination.…”

Section: Ir Spectramentioning

confidence: 92%

Synthesis, spectral characterization, in-vitro microbiological evaluation and cytotoxic activities of novel macrocyclic bis hydrazone

Avaji

Kumar

Patil

et al. 2009

European Journal of Medicinal Chemistry

236

114

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a b s t r a c tA macrocyclic hydrazone Schiff base was synthesized by reacting 1,4-dicarbonyl phenyl dihydrazide with 2,6-diformyl-4-methyl phenol and a series of metal complexes with this new Schiff base were synthesized by reaction with Co(II), Ni(II) and Cu(II) metal salts. The Schiff base and its complexes have been characterized by elemental analyses, IR, 1 H NMR, UV-vis, FAB mass, ESR spectra, fluorescence, thermal, magnetic and molar conductance data. The analytical data reveal that the Co(II), Ni(II) and Cu(II) complexes possess 2:1 metal-ligand ratios. All the complexes are non-electrolytes in DMF and DMSO due to their low molar conductance values. Infrared spectral data suggest that the hydrazone Schiff base behaves as a hexadentate ligand with NON NON donor sequence towards the metal ions. The ESR spectral data shows that the metal-ligand bond has considerable covalent character. The electrochemical behavior of the copper(II) complex was investigated by cyclic voltammetry. The Schiff base and its complexes have also been screened for their antibacterial (Escherichia coli, Staphylococcus aureus, Shigella dysentery, Micrococcus, Bacillus subtilis, Bacillus cereus and Pseudomonas aeruginosa) and antifungal activities (Aspergillus niger, Penicillium and Candida albicans) by MIC method. The brine shrimp bioassay was also carried out to study their in-vitro cytotoxic properties.

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“…[74] The strong absorption features between 1000 and1 200 cm À1 might originate from CÀOg roups formed during the oxidation process of the carbon surfaces, [74] but could also be assigned to MnÀOH vibrations. [73] Finally,R amans pectra were also recorded for all electrodes.…”

Section: Synthesis and Characterization Of Mno X Coatingsmentioning

confidence: 99%

Electrocatalytic Water Oxidation by MnO_x/C: In Situ Catalyst Formation, Carbon Substrate Variations, and Direct O₂/CO₂ Monitoring by Membrane‐Inlet Mass Spectrometry

et al. 2017

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Layers of amorphous manganese oxides were directly formed on the surfaces of different carbon materials by exposing the carbon to aqueous solutions of permanganate (MnO4−) followed by sintering at 100–400 °C. During electrochemical measurements in neutral aqueous buffer, nearly all of the MnOx/C electrodes show significant oxidation currents at potentials relevant for the oxygen evolution reaction (OER). However, by combining electrolysis with product detection by using mass spectrometry, it was found that these currents were only strictly linked to water oxidation if MnOx was deposited on graphitic carbon materials (faradaic O2 yields >90 %). On the contrary, supports containing sp3‐C were found to be unsuitable as the OER is accompanied by carbon corrosion to CO2. Thus, choosing the “right” carbon material is crucial for the preparation of stable and efficient MnOx/C anodes for water oxidation catalysis. For MnOx on graphitic substrates, current densities of >1 mA cm−2 at η=540 mV could be maintained for at least 16 h of continuous operation at pH 7 (very good values for electrodes containing only abundant elements such as C, O, and Mn) and post‐operando measurements proved the integrity of both the catalyst coating and the underlying carbon at OER conditions.

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Infrared and R aman Spectra of Inorganic and Coordination Compounds

Cited by 3,561 publications

References 12 publications

IR Photodissociation Spectroscopy and Theory of Au⁺(CO)_n Complexes: Nonclassical Carbonyls in the Gas Phase

IR Photodissociation Spectroscopy and Theory of Au⁺(CO)_n Complexes: Nonclassical Carbonyls in the Gas Phase

Synthesis, spectral characterization, in-vitro microbiological evaluation and cytotoxic activities of novel macrocyclic bis hydrazone

Electrocatalytic Water Oxidation by MnO_x/C: In Situ Catalyst Formation, Carbon Substrate Variations, and Direct O₂/CO₂ Monitoring by Membrane‐Inlet Mass Spectrometry

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Infrared and R aman Spectra of Inorganic and Coordination Compounds

Cited by 3,561 publications

References 12 publications

IR Photodissociation Spectroscopy and Theory of Au+(CO)n Complexes: Nonclassical Carbonyls in the Gas Phase

IR Photodissociation Spectroscopy and Theory of Au+(CO)n Complexes: Nonclassical Carbonyls in the Gas Phase

Synthesis, spectral characterization, in-vitro microbiological evaluation and cytotoxic activities of novel macrocyclic bis hydrazone

Electrocatalytic Water Oxidation by MnOx/C: In Situ Catalyst Formation, Carbon Substrate Variations, and Direct O2/CO2 Monitoring by Membrane‐Inlet Mass Spectrometry

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IR Photodissociation Spectroscopy and Theory of Au⁺(CO)_n Complexes: Nonclassical Carbonyls in the Gas Phase

IR Photodissociation Spectroscopy and Theory of Au⁺(CO)_n Complexes: Nonclassical Carbonyls in the Gas Phase

Electrocatalytic Water Oxidation by MnO_x/C: In Situ Catalyst Formation, Carbon Substrate Variations, and Direct O₂/CO₂ Monitoring by Membrane‐Inlet Mass Spectrometry