一氧化三碳

一氧化三碳
	IUPAC名; 3-oxo-1,2-Propadienylidene
别名	3-Oxopropadienylidene
识别
CAS号	11127-17-6
SMILES	[C-]#CC#[O+];
InChI	InChI=1S/C3O/c1-2-3-4;
InChIKey	ZCNKODXATWVMAO-UHFFFAOYSA-N
性质
化学式	C3O
摩尔质量	52.03 g·mol−1
外观	气体
相关物质
相关化学品	一氧化碳; 一氧化二碳; 一氧化四碳; 一硫化三碳; 二氰乙炔; HCCCO
	若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

一氧化三碳，化学式C₃O，是一种高活性的碳氧化物自由基，可在外太空找到，也能在实验室瞬时合成，可以将其截留在惰性气体基质（英语：inert gas matrix）中或制成短寿命气体。C₃O可以被归类为烯酮或是杂多烯（英语：heterocumulene）。^[2]

天然存在

在黑暗寒冷的金牛座分子云1^[3]和原恒星Elias 18中都探测到了C₃O的微波光谱。^[4]

它的产生过程推测为：^[5]

HC+
3 + CO₂ → HC₃O⁺ + CO

HC₃O⁺ → C₃O + H⁺

或^[4]

C₂ + CO → C₃O（低温下更常见）

虽然氧比硫常见20倍，但类似的C₃S在暗分子云里更常见。这个差别是因为较高的生成率和C₃S的低极性导致的。^[4]

性质

C₃O分子不能长时间存在。在1 Pa的低压下，它们的寿命为一秒钟。^[6]一氧化三碳是线形分子。^[5]

键	原子1	原子2	键长 Å^[5]	力常数 mdyn/Å^[7]
CCC-O	C1	O	1.149	14.94
CC-CO	C2	C1	1.300	1.39
C-CCCO	C3	C2	1.273	6.02

它的质子亲合能为885 kJmol⁻¹，^[5]偶极矩 2.391 D。^[8]一氧化三碳的氧原子有正电荷，而最末端的碳原子有负电荷。^[5]这个分子的两个末端应该都是三键，中间则是单键，和氰气是等电子体。^[9]

参考资料

^ Cooksy, A. L.; Watson, J. K. G.; Gottlieb, C. A.; Thaddeus, P. The rotational spectrum of the carbon chain radical HCCCO. The Astrophysical Journal. 1992-02, 386: L27 [2022-03-02]. Bibcode:1992ApJ...386L..27C. ISSN 0004-637X. doi:10.1086/186284. （原始内容存档于2018-06-08）（英语）.
^ Ruppel, Raimund. Neue Heterokumulene und Carbene (PDF). Gießen: Justus-Liebig-Universität: 13. 1999 [2016-11-10]. （原始内容 (PDF)存档于2021-11-04）（德语）.
^ Matthews, H. E.; Irvine, W. M.; Friberg, P; Brown, R. D.; Godfrey, P. D. A new interstellar molecule: tricarbon monoxide. Nature. 12 July 1984, 310 (5973): 125–126. Bibcode:1984Natur.310..125M. PMID 11541993. S2CID 4335136. doi:10.1038/310125a0.
^ ^4.0 ^4.1 ^4.2 Abbas, Haider. Neutral-neutral reactions for the formation of C3O and C3S. Astrophysics and Space Science. 6 February 2014, 351 (1): 53–57. Bibcode:2014Ap&SS.351...53A. S2CID 124813337. doi:10.1007/s10509-014-1809-y.
^ ^5.0 ^5.1 ^5.2 ^5.3 ^5.4 Botschwina, Peter. A theoretical investigation of the astrophysically important molecules C3O and HC3O+. The Journal of Chemical Physics. 1989, 90 (8): 4301–4313. Bibcode:1989JChPh..90.4301B. doi:10.1063/1.455787.
^ Information, Reed Business. Theory predicts a new oxide of carbon. New Scientist. 9 May 1985, (1455): 21 [10 November 2016]. （原始内容存档于2022-03-04）.
^ DeKock, R. L.; Weltner, W. C2O, CN2, and C3O molecules. Journal of the American Chemical Society. December 1971, 93 (25): 7106–7107. doi:10.1021/ja00754a081.
^ Baceiredo, Antoine. Transition Metal Complexes of Neutral Eta1-Carbon Ligands. Springer Science & Business Media. 2010: 247–248 [2022-03-04]. ISBN 9783642047213. （原始内容存档于2022-05-01）.
^ Brown, Ronald D.; Pullin, David E.; Rice, Edward H. N.; Rodler, Martin. The infrared spectrum and force field of tricarbon monoxide. Journal of the American Chemical Society. December 1985, 107 (26): 7877–7880. doi:10.1021/ja00312a013.

拓展阅读

Brown, Ronald D.; Rice, E. H. Tricarbon monoxide - a theoretical study. Journal of the American Chemical Society. 1984-10, 106 (22): 6475–6478 [2022-03-02]. ISSN 0002-7863. doi:10.1021/ja00334a002. （原始内容存档于2022-03-02）（英语）.

[1] Cooksy, A. L.; Watson, J. K. G.; Gottlieb, C. A.; Thaddeus, P. The rotational spectrum of the carbon chain radical HCCCO. The Astrophysical Journal. 1992-02, 386: L27 [2022-03-02]. Bibcode:1992ApJ...386L..27C. ISSN 0004-637X. doi:10.1086/186284. （原始内容存档于2018-06-08）（英语）.

[rup-2] Ruppel, Raimund. Neue Heterokumulene und Carbene (PDF). Gießen: Justus-Liebig-Universität: 13. 1999 [2016-11-10]. （原始内容 (PDF)存档于2021-11-04）（德语）.

[3] Matthews, H. E.; Irvine, W. M.; Friberg, P; Brown, R. D.; Godfrey, P. D. A new interstellar molecule: tricarbon monoxide. Nature. 12 July 1984, 310 (5973): 125–126. Bibcode:1984Natur.310..125M. PMID 11541993. S2CID 4335136. doi:10.1038/310125a0.

[abb-4] 4.0 ^4.1 ^4.2 Abbas, Haider. Neutral-neutral reactions for the formation of C3O and C3S. Astrophysics and Space Science. 6 February 2014, 351 (1): 53–57. Bibcode:2014Ap&SS.351...53A. S2CID 124813337. doi:10.1007/s10509-014-1809-y.

[bots-5] 5.0 ^5.1 ^5.2 ^5.3 ^5.4 Botschwina, Peter. A theoretical investigation of the astrophysically important molecules C3O and HC3O+. The Journal of Chemical Physics. 1989, 90 (8): 4301–4313. Bibcode:1989JChPh..90.4301B. doi:10.1063/1.455787.

[6] Information, Reed Business. Theory predicts a new oxide of carbon. New Scientist. 9 May 1985, (1455): 21 [10 November 2016]. （原始内容存档于2022-03-04）.

[dekock-7] DeKock, R. L.; Weltner, W. C2O, CN2, and C3O molecules. Journal of the American Chemical Society. December 1971, 93 (25): 7106–7107. doi:10.1021/ja00754a081.

[tmc-8] Baceiredo, Antoine. Transition Metal Complexes of Neutral Eta1-Carbon Ligands. Springer Science & Business Media. 2010: 247–248 [2022-03-04]. ISBN 9783642047213. （原始内容存档于2022-05-01）.

[9] Brown, Ronald D.; Pullin, David E.; Rice, Edward H. N.; Rodler, Martin. The infrared spectrum and force field of tricarbon monoxide. Journal of the American Chemical Society. December 1985, 107 (26): 7877–7880. doi:10.1021/ja00312a013.

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