三重項酸素
WordNet
- hit a three-base hit
- increase threefold; "Triple your income!" (同)treble
- a base hit at which the batter stops safely at third base (同)three-base hit, three-bagger
- a quantity that is three times as great as another
- a nonmetallic bivalent element that is normally a colorless odorless tasteless nonflammable diatomic gas; constitutes 21 percent of the atmosphere by volume; the most abundant element in the earths crust (同)O, atomic number 8
- one of three offspring born at the same time from the same pregnancy
PrepTutorEJDIC
- 3倍の / 3重の,3部から成る / 3倍の数(量) / (野球で)三塁打 / …‘を'3倍(3重)にする / 3倍(3重)になる / (野球で)三塁打を打つ
- 『酸素』(化学記号はO)
- 三つ組 / 3連音符 / 三つ子の一人
Wikipedia preview
出典(authority):フリー百科事典『ウィキペディア（Wikipedia）』「2016/09/20 02:00:38」(JST)
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Triplet oxygen
| Names |
Preferred IUPAC name
Triplet oxygen[citation needed]
|
Systematic IUPAC name
Dioxidanediyl[1] (substitutive)
dioxygen(2•)(triplet)[1] (additive)
|
| Identifiers |
|
CAS Number
|
7782-44-7 Y |
| ChEBI |
CHEBI:27140 |
| EC Number |
231-956-9 |
|
Gmelin Reference
|
492 |
| Jmol 3D model |
Interactive image
Interactive image
Interactive image |
| KEGG |
D00003 Y |
| MeSH |
Oxygen |
| RTECS number |
RS2060000 |
| UN number |
1072 |
InChI
-
InChI=1S/O2/c1-2
Key: MYMOFIZGZYHOMD-UHFFFAOYSA-N
|
|
|
| Properties |
|
Chemical formula
|
O2 |
| Molar mass |
32.00 g·mol−1 |
| Appearance |
Colorless gas |
| Melting point |
−218.2 °C; −360.7 °F; 55.0 K |
| Boiling point |
−183.2 °C; −297.7 °F; 90.0 K |
| Structure |
|
Molecular shape
|
Linear |
|
Dipole moment
|
0 D |
| Thermochemistry |
|
Std molar
entropy (So298)
|
205.152 J K−1 mol−1 |
|
Std enthalpy of
formation (ΔfHo298)
|
0 kJ mol−1 |
| Pharmacology |
|
ATC code
|
V03AN01 (WHO) |
| Hazards |
|
EU classification (DSD)
|
O |
| R-phrases |
R8 |
| S-phrases |
S17 |
| NFPA 704 |
|
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
|
| Infobox references |
|
|
Triplet oxygen, systematically but less commonly, 1,2-dioxidanediyl, is normal, gaseous oxygen (O2, dioxygen) in its ground state. It is therefore classified as an inorganic chemical, and more specifically as a particular electronic state of one allotrope of the inorganic chemical element, oxygen. In this particular state, according to one type of modern bonding theory, the electron configuration of the oxygen molecule has two electrons occupying two molecular orbitals (MOs) of equal energy (that is, degenerate MOs), therefore remaining unpaired. These orbitals are classified as antibonding and are of higher energy, so the resulting bonding structure between the oxygen atoms is weakened (i.e., is higher in energy)—for instance, it is higher in energy than the bonding in dinitrogen, where the corresponding antibonding orbitals are empty. The spectroscopic molecular term symbol for triplet (ground state) oxygen is 3Σ−
g.[2][3][better source needed]
Contents
- 1 Spin
- 2 Reaction
- 3 Further reading
- 4 References
- 5 External sources
Spin
The valence orbitals of molecular oxygen (middle); in the ground state, the electrons in the π* orbitals have their spins parallel.
The s = 1⁄2 spins of the two electrons in degenerate orbitals gives rise to 2 × 2 = 4 independent spin states in total. Exchange interaction splits these into a singlet state (total spin S = 0) and a set of 3 degenerate triplet states (S = 1). In agreement with Hund's rules, the triplet states are energetically more favorable, and correspond to the ground state of the molecule with a total electron spin of S = 1. Excitation to the S=0 state results in much more reactive, metastable singlet oxygen.
Because the molecule in its ground state has a non-zero spin magnetic moment, oxygen is paramagnetic; i.e., it can be attracted to the poles of a magnet. The Lewis structure O=O does not accurately represent the diradical nature of molecular oxygen; molecular orbital theory must be used to adequately account for the unpaired electrons. Triplet oxygen is better described by a bond order of one and two halves instead of two to better reflect its unpaired bonding electrons. This allows for easier reasoning of the bond length.
Reaction
The unusual electron configuration prevents molecular oxygen from reacting directly with many other molecules, which are often in the singlet state. Triplet oxygen will, however, readily react with molecules in a doublet state, such as radicals, to form a new radical. Conservation of spin quantum number would require a triplet transition state in a reaction of triplet oxygen with a closed shell (a molecule in a singlet state). The extra energy required is sufficient to prevent direct reaction at ambient temperatures with all but the most reactive substrates, e.g. white phosphorus. At higher temperatures or in the presence of suitable catalysts the reaction proceeds more readily. For instance, most flammable substances are characterised by an autoignition temperature at which they will undergo combustion in air without an external flame or spark.
Further reading
- McNaught, A. D.; Wilkinson, A. (1997) "Singlet molecular oxygen (singlet molecular dioxygen)," In IUPAC Compendium of Chemical Terminology, 2nd edn. [the "Gold Book"], Oxford, GBR: Blackwell, ISBN 0967855098, DOI 10.1351/goldbook and 10.1351/goldbook.S05695; XML on-line corrected version created by M. Nic, J. Jirat, & B. Kosata, with updates compiled by A. Jenkins, see [3] or [4], accessed 11 August 2015.
References
- ^ a b "Triplet Dioxygen (CHEBI:27140)". Chemical Entities of Biological Interest (ChEBI). UK: European Bioinformatics Institute.
- ^ Atkins, Peter; De Paula, Julio; Friedman, Ronald (2009) Quanta, Matter, and Change: A Molecular Approach to Physical Chemistry, pp. 341–342, Oxford: Oxford University Press, ISBN 0199206066, see [1]. accessed 11 August 2015.
- ^ Christian Hill, 2015, "Molecular Term Symbols," self-published, from Post-Doctoral Research Associate at the Department of Physics and Astronomy, University College London, see [2], accessed 11 August 2015.[better source needed]
External sources
- http://meta-synthesis.com/webbook/16_diradical/diradical.html[better source needed]
UpToDate Contents
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English Journal
- The effect of ascorbic acid on the photophysical properties and photodynamic therapy activities of zinc phthalocyanine-single walled carbon nanotube conjugate on MCF-7 cancer cells.
- Ogbodu RO1, Nyokong T2.
- Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.Spectrochim Acta A Mol Biomol Spectrosc.2015 Dec 5;151:174-83. doi: 10.1016/j.saa.2015.06.063. Epub 2015 Jun 20.
- Zinc mono carboxy phenoxy phthalocyanine (1) was chemical modified with ascorbic acid via an ester bond to give ZnMCPPc-AA (2). Complexes 2 and 1 were coordinated to single walled carbon nanotubes via π-π interaction to give ZnMCPPc-AA-SWCNT (3) and ZnMCPPc-SWCNT (4) respectively. Complexes 2, 3 a
- PMID 26135538
- Photophysical and photosensitizing characters of 2-phenylbenzimidazole-5-sulfonic acid. A theoretical study.
- Shen L1.
- Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.Spectrochim Acta A Mol Biomol Spectrosc.2015 Nov 5;150:187-9. doi: 10.1016/j.saa.2015.05.057. Epub 2015 May 29.
- The sunscreen agent 2-phenylbenzimidazole-5-sulfonic acid (PBSA) has been reported to exhibit photosensitizing activity. In the present study, the photophysical and photosensitizing properties of PBSA were investigated by means of quantum chemical calculations with the aim to gain deeper insights in
- PMID 26046497
- Benzonitrile: Electron affinity, excited states, and anion solvation.
- Dixon AR1, Khuseynov D1, Sanov A1.
- The Journal of chemical physics.J Chem Phys.2015 Oct 7;143(13):134306. doi: 10.1063/1.4931985.
- We report a negative-ion photoelectron imaging study of benzonitrile and several of its hydrated, oxygenated, and homo-molecularly solvated cluster anions. The photodetachment from the unsolvated benzonitrile anion to the X̃(1)A1 state of the neutral peaks at 58 ± 5 meV. This value is assigned as
- PMID 26450313
Japanese Journal
- Spontaneous Oxygenation of Siloxy-N-silylketenimines to α-Ketoamides
- Ferromagnetic Chains of Ground Triplet 5-Methoxy-1,3-phenylene Bis(tert-butyl nitroxide)
- 光音響イメージング法による生体がん組織の時空間的機能分析を可能とする分子プローブの設計・開発
Related Links
- Triplet oxygenとは？goo Wikipedia (ウィキペディア) 。出典：Wikipedia（ウィキペディア）フリー百科事典。 Triplet oxygenとは - goo Wikipedia (ウィキペディア) gooトップ サイトマップ スタートページに設定 RSS ヘルプ メニューへスキップ ...
- Why is oxygen in a triplet state and what are the consequences? up vote 3 down vote favorite 2 From Wikipedia here and here: ''Almost all molecules encountered in daily life exist in a singlet state, but molecular oxygen is an ...
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- 英
- triplet oxygen, triplet state molecular oxygen
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- 関
- triplex