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pro vyhledávání: '"Carbon trioxide"'
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Akademický článek
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Publikováno v:
Chemical Science. 7:1142-1150
The CO3 radical anion (CO3˙−) has been formed by electrospraying carbonate dianion (CO32−) into the gas phase. The negative ion photoelectron (NIPE) spectrum of CO3˙− shows that, unlike the isoelectronic trimethylenemethane [C(CH2)3], D3h car
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b184a06e3bd123f0497a80b0a60135bb
https://doi.org/10.1039/c5sc03542b
https://doi.org/10.1039/c5sc03542b
Publikováno v:
The Journal of Physical Chemistry C. 114:14173-14179
The understanding of reaction intermediates in heterogeneous catalysis has important implications for the design of novel catalysts. We investigate the adsorption of CO 2 on oxygen precovered Ag(100) at low temperature (17 K) by scanning tunneling mi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4cc839738ac2b3d2a350438b177ff9c3
https://doi.org/10.1021/jp104170b
https://doi.org/10.1021/jp104170b
Autor:
Tsz-Yan Soo, Changyong Qin
Publikováno v:
International Journal of Quantum Chemistry. 110:946-952
Using density functional theory methods, we have studied carbon trioxide, its adsorption and dissociation on Ag(100). In the gas phase, two isomers are found, D3h and C2v, with the latter of 2.0 kcal mol−1 lower in energy at the PW91PW91/6−31G(d)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e75d4e5a54269765669564392c0b84e1
https://doi.org/10.1002/qua.22035
https://doi.org/10.1002/qua.22035
Autor:
Tsz-Yan Soo, Changyong Qin
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 897:32-35
Carbon trioxide has been studied using DFT and TDDFT methods with different combinations of GGA functionals and correlation consistent basis sets. The C 2 v isomer is calculated to be 2.5 kcal mol −1 and 12.5 kcal mol −1 lower in energy than D 3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d4cc6732ca7a99f128286e732f4a41ba
https://doi.org/10.1016/j.theochem.2008.11.018
https://doi.org/10.1016/j.theochem.2008.11.018
Publikováno v:
Chemical Physics Letters. 440:105-109
Carbon oxides such as carbon dioxide (CO 2 ) and carbon trioxide (CO 3 ) have long been known as important molecules in atmospheric and solid state chemical reactions. Although higher order carbon oxides have been theoretically predicted to be stable
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8cc1c62463469e20660ec22183614c40
https://doi.org/10.1016/j.cplett.2007.04.043
https://doi.org/10.1016/j.cplett.2007.04.043
Publikováno v:
ChemPhysChem. 7:2508-2513
The CO 3 molecule is considered an important reaction intermediate in the atmospheres of Earth and Mars for quenching electronically excited oxygen atoms and in contributing to the anomalous 18 O isotope enrichment. The geometry of the CO 3 intermedi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8daea306add4f1bf1e51208c480bfdd6
https://doi.org/10.1002/cphc.200600390
https://doi.org/10.1002/cphc.200600390
Publikováno v:
The Journal of Physical Chemistry A. 106:11855-11870
Transient absorption spectroscopy was used to study the mechanism for radiolysis of dense, liquidlike supercritical (sc) CO2 (T = 41 °C, ρ = 0.84 g/cm3). The 350−1500 nm spectra are decomposed into the contributions from the solvent radical catio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e32f294ae43949086d11b852fd6c3b0
https://doi.org/10.1021/jp021494k
https://doi.org/10.1021/jp021494k
Autor:
Hans-Dieter Brauer, Carsten Bender
Publikováno v:
Journal of the Chemical Society, Perkin Transactions 2. :535-543
The kinetics of the activation of hydrogen peroxide by p-nitrophenyl chloroformate (NPCF) in tetrahydrofuran (THF) have been investigated by measuring the phosphorescence of the released singlet molecular oxygen (1O2) at 1270 nm. The results are cons
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee37a9d12aeae04f7620f95f02cd73af
https://doi.org/10.1039/a906988g
https://doi.org/10.1039/a906988g