Nitrosyl–heme and anion–arene complexes: structure, reactivity and spectroscopy

2015 ◽  
Vol 87 (4) ◽  
pp. 379-390 ◽  
Author(s):  
Maria Elisa Crestoni ◽  
Barbara Chiavarino ◽  
Simonetta Fornarini
Keyword(s):  
Gas Phase ◽  
Metal Center ◽  
Arene Complexes ◽  
Biological Media ◽  
Variable Binding ◽  
Irmpd Spectroscopy ◽  
Binding Motifs ◽  
Coordination Environment ◽  
Axial Coordination ◽  
First Time

AbstractTwo topics are selected and illustrated to exemplify (i) a biological and (ii) an organic ionic intermediate. The reactivity behavior of NO adducts with ferric and ferrous hemes has shown remarkable similarities when examined in the gas phase, demonstrating that the largely different NO affinity displayed in solution and in biological media is due to the different coordination environment. In fact, ferrous hemes present a vacant or highly labile axial coordination site, prone to readily bind NO. The vibrational signatures of the NO ligand have also been probed in vacuo for the first time in the nitrosyl complexes deriving from ferrous and ferric hemes under strictly comparable five-coordination at the metal center. Negatively charged σ-adducts, from the association of anions with 1,3,5-trinitrobenzene, an exemplary π-electron-deficient arene, have been probed by IRMPD spectroscopy and found to display variable binding motifs from a strongly covalent σ-adduct (Meisenheimer complex) to a weakly covalent σ-complex, depending on the anion basicity.

scholarly journals IRMPD Spectroscopy of Homo- and Heterochiral Asparagine Proton-Bound Dimers in the Gas Phase

2021 ◽  
Vol 125 (34) ◽  
pp. 7449-7456
Author(s):  
Åke Andersson ◽  
Mathias Poline ◽  
Kas J. Houthuijs ◽  
Rianne E. van Outersterp ◽  
Giel Berden ◽  
...  
Keyword(s):  
Gas Phase ◽  
Irmpd Spectroscopy

CsOH and its Lighter Homologues – a Comparison

2014 ◽  
Vol 69 (11-12) ◽  
pp. 1229-1236
Author(s):  
Matthias Wörsching ◽  
Constantin Hoch
Keyword(s):  
Gas Phase ◽  
Room Temperature ◽  
Structure Type ◽  
Alkali Metal Hydroxide ◽  
X Ray ◽  
Raman Spectroscopic ◽  
Cesium Hydroxide ◽  
Free Ion ◽  
The One ◽  
First Time

Abstract Cesium hydroxide, CsOH, was for the first time characterised on the basis of single-crystal data. The structure is isotypic to the one of the room-temperature modification of NaOH and can be derived from the NaCl structure type thus allowing the comparison of all alkali metal hydroxide structures. Raman spectroscopic investigations show the hydroxide anion to behave almost as a free ion as in the gas phase. The X-ray investigations indicate possible H atom positions.

Role of metal center and coordination environment in M-(Z)-N-((E)-pyridin-2-ylmethylene)isonicotinohydrazonate (M = LaIII, ZnII, CdII or HgII) catalyzed cyanosilylation of aldehydes

Polyhedron ◽  
2021 ◽  
Vol 209 ◽  
pp. 115453
Author(s):  
Fatali E. Huseynov ◽  
Ghodrat Mahmoudi ◽  
Sevinc R. Hajiyeva ◽  
Nazim T. Shamilov ◽  
Fedor I. Zubkov ◽  
...  
Keyword(s):  
Metal Center ◽  
Coordination Environment

Analysis of chlorinated hydrocarbons in gas phase using a portable membrane inlet mass spectrometer

2016 ◽  
Vol 8 (36) ◽  
pp. 6607-6615 ◽  
Author(s):  
Stamatios Giannoukos ◽  
Boris Brkić ◽  
Stephen Taylor
Keyword(s):  
Gas Phase ◽  
Mass Spectrometer ◽  
Gaseous Phase ◽  
Chlorinated Hydrocarbons ◽  
Volatile Chlorinated Hydrocarbons ◽  
First Time

A compact portable membrane inlet mass spectrometer (MIMS) has been used for the first time to detect and monitor, both qualitatively and quantitatively, volatile chlorinated hydrocarbons in the gaseous phase.

scholarly journals The quantitative infrared and NIR spectrum of CH<sub>2</sub>I<sub>2</sub> vapor: vibrational assignments and potential for atmospheric monitoring

2006 ◽  
Vol 6 (1) ◽  
pp. 1275-1299
Author(s):  
T. J. Johnson ◽  
T. Masiello ◽  
S. W. Sharpe
Keyword(s):  
Gas Phase ◽  
Near Infrared ◽  
Point Group ◽  
Aerosol Formation ◽  
Atmospheric Monitoring ◽  
Vibrational Assignments ◽  
Quantitative Absorption ◽  
First Time ◽  
Phase Spectra ◽  
Ft Raman

Abstract. Diiodomethane (CH2I2) photolysis in the presence of ozone is a suggested precursor to new particle aerosol formation, particularly in coastal areas. As part of the PNNL database of gas-phase infrared spectra, the quantitative absorption spectrum of CH2I2 has been acquired at 0.1 cm−1 resolution. Two strong b2 symmetry A-type bands at 584 and 1114 cm−1 are observed, but are not resolved at 760 Torr and appear as B-type. In contrast, the b1 symmetry C-type bands near 5953, 4426 and 3073 cm−1 are resolved with rotational structure, including Q-branches with widths ≤1 cm−1. The quantitative infrared and near-infrared vapor-phase spectra (600–10 000 cm−1) are reported for the first time and discussed in terms of atmospheric monitoring. FT-Raman spectra and ab initio calculations are used to complete vibrational assignments in the C2v point group.

Electronic Spectra of the Triacetylene Cation (HC6H+) and Protonated Triacetylene (HC6H2+) Tagged with Ar

2019 ◽  
Vol 72 (4) ◽  
pp. 260 ◽  
Author(s):  
Ugo Jacovella ◽  
Giel Muller ◽  
Katherine J. Catani ◽  
Nastasia I. Bartlett ◽  
Evan J. Bieske
Keyword(s):  
Electronic Spectrum ◽  
Gas Phase ◽  
Band System ◽  
Argon Atom ◽  
Planetary Atmospheres ◽  
Phase Spectrum ◽  
Tandem Mass ◽  
Interstellar Clouds ◽  
Combustion Processes ◽  
First Time

Polyacetylene cations (HC2nH+) play important roles in combustion processes and in the chemistry of planetary atmospheres and interstellar clouds. Here we report the electronic spectrum for the triacetylene cation (HC6H+) recorded over the 300–610nm range by photodissociating mass-selected ions tagged with argon atoms in a tandem mass spectrometer. The spectrum shows three band systems that are assigned to (origin transition 16665cm−1), (origin transition 23916cm−1), and (origin transition 29920cm−1). Although the band system is well known, the and band systems are observed for the first time in the gas phase. In addition, the electronic spectrum of the protonated triacteylene cation tagged with an argon atom (HC6-Ar) is reported, providing the first gas-phase spectrum for this species.

scholarly journals Elucidating the multiple structures of pipecolic acid by rotational spectroscopy

2019 ◽  
Vol 21 (8) ◽  
pp. 4155-4161 ◽  
Author(s):  
A. Simão ◽  
C. Cabezas ◽  
I. León ◽  
E. R. Alonso ◽  
S. Mata ◽  
...  
Keyword(s):  
Amino Acid ◽  
Gas Phase ◽  
Theoretical Data ◽  
Pipecolic Acid ◽  
Conformational Space ◽  
Rotational Spectroscopy ◽  
Multiple Structures ◽  
First Time

The complex conformational space of the non-proteinogenic cyclic amino acid pipecolic acid has been explored in the gas phase for the first time, with 9 conformers characterized via a combination of CP-FTMW and LA-FTMW techniques, supported by theoretical data.

scholarly journals Enhanced UV radiation and dense clumps in the molecular outflow of Mrk 231

2020 ◽  
Vol 633 ◽  
pp. A163 ◽  
Author(s):  
Claudia Cicone ◽  
Roberto Maiolino ◽  
Susanne Aalto ◽  
Sebastien Muller ◽  
Chiara Feruglio
Keyword(s):  
Gas Phase ◽  
Uv Radiation ◽  
Molecular Clouds ◽  
Line Emission ◽  
Molecular Gas ◽  
Spectral Features ◽  
Giant Molecular Clouds ◽  
Dense Phase ◽  
Molecular Outflow ◽  
First Time

We present interferometric observations of the CN(1–0) line emission in Mrk 231 and combine them with previous observations of CO and other H2 gas tracers to study the physical properties of the massive molecular outflow. We find a strong boost of the CN/CO(1–0) line luminosity ratio in the outflow of Mrk 231, which is unprecedented compared to any other known Galactic or extragalactic astronomical source. For the dense gas phase in the outflow traced by the HCN and CN emissions, we infer XCN ≡ [CN]/[H2]> XHCN by at least a factor of three, with H2 gas densities of nH2 ∼ 105−6 cm−3. In addition, we resolve for the first time narrow spectral features in the HCN(1–0) and HCO+(1–0) high-velocity line wings tracing the dense phase of the outflow. The velocity dispersions of these spectral features, σv ∼ 7−20 km s−1, are consistent with those of massive extragalactic giant molecular clouds detected in nearby starburst nuclei. The H2 gas masses inferred from the HCN data are quite high, Mmol ∼ 0.3−5 × 108 M⊙. Our results suggest that massive complexes of denser molecular gas survive embedded into the more diffuse H2 phase of the outflow, and that the chemistry of these outflowing dense clouds is strongly affected by UV radiation.

Gas Phase and Surface Reactions in Mocvd of GaAs from Triethylgallium, Trimethylgallium, and Organometallic Arsenic Precursors

1988 ◽  
Vol 131 ◽  
Author(s):  
Thomas R. Omstead ◽  
Penny M. Van Sickle ◽  
Klavs F. Jensen
Keyword(s):  
Gas Phase ◽  
Low Temperatures ◽  
Surface Reactions ◽  
Rate Data ◽  
Gas Phase Reactions ◽  
Heated Zone ◽  
Model Predictions ◽  
First Time ◽  
Good Agreement

ABSTRACTThe growth of GaAs from triethylgallium (TEG) and trimethylgallium (TMG) with tertiarybutylarsine (tBAs), triethylarsenic (TEAs), and trimethylarsenic (TMAs), has been investigated by using a reactor equipped with a recording microbalance for in situ rate measurements. Rate data show that the growth with these precursors is dominated by the formation of adduct compounds in the gas lines, by adduct related parasitic gas phase reactions in the heated zone, and by the surface reactions. A model is proposed for the competition between deposition reactions and the parasitic gas phase reactions. Model predictions are in very good agreement with experimental data for all combinations of precursors except for TEG/TMAs where extensive gallium droplet formation is observed at low temperatures. Growth of reasonable quality GaAs with Hall mobilities of 7600 cm2/Vs at 77 K using TEG and tBAs is reported for the first time.

Equilibrium molecular structure and spectra of 6-methyl-1,5-diazabicyclo[3.1.0]hexane: joint analysis of gas phase electron diffraction, quantum chemistry, and spectroscopic data

2020 ◽  
Vol 22 (39) ◽  
pp. 22477-22492
Author(s):  
Leonid S. Khaikin ◽  
Georgiy G. Ageev ◽  
Anatoliy N. Rykov ◽  
Olga E. Grikina ◽  
Igor F. Shishkov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Quantum Chemistry ◽  
Gas Phase ◽  
Vibrational Spectra ◽  
Spectroscopic Data ◽  
Joint Analysis ◽  
Equilibrium Molecular Structure ◽  
First Time ◽  
Gas Phase Electron Diffraction

For the first time, the molecular structure of 6-methyl-1,5-diazabicyclo[3.1.0]hexane was determined and its NMR and vibrational spectra were studied.

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