12C-Methan

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: 12C-Methan
• 英文别名: methane；Carbon-12 atom；carbane
• 化学式: CH₄
• 分子量: 16.0318
• InChiKey: VNWKTOKETHGBQD-IGMARMGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  1
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  12C-Methan 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Raman-scattering study of isotopically engineered crystallineC60

  摘要：

  A high resolution Raman scattering study of the intramolecular phonons of crystalline C-60 is presented. Many of the Raman-active vibrations are richly structured, revealing a crystal field splitting both above and below the orientational ordering transition at 260 K. Much of the vibrational fine structure is also shown to be strongly influenced by the small amount of orientational, or merohedral, disorder which persists in the low-temperature phase. The impact of isotopic disorder is examined by the comparison of Raman spectra of single crystals made from naturally abundant carbon, 99.95% C-12, and 99.7% C-13, as well as a range of intermediate C-13 concentrations. The C-12(60) and C-13(60) spectra are identical, apart from a uniform softening of the C-13(60) vibrational energies by the factor (12/13)(1/2). As the C-13 concentration is increased from approximately zero, the bulk of the vibrational modes display only a softening in energy and a broadening in width. In sharp contrast to this expected behavior is the A(g)(2)-derived band which shows both a softening in energy and additional splittings with increasing C-13 content.

  DOI：

  10.1103/physrevb.54.920
• 作为产物：
  描述：

  Dimethyl sulfoxide-12C2, 99.95 atom % 12C 在 氧气 作用下， 以 水 为溶剂， 生成 12C-Methan
  参考文献：
  名称：

  Abiotic Methane Production Driven by Ubiquitous Non‐Fenton‐Type Reactive Oxygen Species

  摘要：

  Abiotic CH₄ production driven by Fenton‐type reactive oxygen species (ROS) has been confirmed to be an indispensable component of the atmospheric CH₄ budget. While the chemical reactions independent of Fenton chemistry to ROS are ubiquitous in nature, it remains unknown whether the produced ROS can drive abiotic CH₄ production. Here, we first demonstrated the abiotic CH₄ production at the soil‐water interface under illumination. Leveraging this finding, polymeric carbon nitrides (CN_x) as a typical analogue of natural geobattery material and dimethyl sulfoxide (DMSO) as a natural methyl donor were used to unravel the underlying mechanisms. We revealed that the ROS, photocatalytically produced by CN_x, can oxidize DMSO into CH₄ with a high selectivity of 91.5 %. Such an abiotic CH₄ production process was further expanded to various non‐Fenton‐type reaction systems, such as electrocatalysis, pyrocatalysis and sonocatalysis. This work provides insights into the geochemical cycle of abiotic CH₄, and offers a new route to CH₄ production via integrated energy development.

  DOI：

  10.1002/anie.202403884

文献信息

• Diode laser spectroscopy of the fundamental bands of , , , free radicals in the ground 2Σ+ electronic state
  作者：M. Hübner、M. Castillo、P.B. Davies、J. Röpcke

  DOI：10.1016/j.saa.2004.03.012

  日期：2005.1

  Rotationally resolved spectra of the fundamental band of the CN free radical in four isotopic forms have been measured using tunable diode laser absorption spectroscopy. The source of the radical was a microwave discharge in a mixture of isotopically selected methane and nitrogen diluted with argon. The lines were measured to an accuracy of 5 x 10(-4) cm(-1) and fitted to the formula for the vibration

  已经使用可调二极管激光吸收光谱法测量了四种同位素形式的CN自由基基带的旋转分辨光谱。自由基的来源是在用氩气稀释的同位素选择的甲烷和氮气的混合物中的微波放电。测得的线的精度为5 x 10（-4）cm（-1），并符合双原子分子振动旋转谱的公式，其中包括四次畸变常数。发现来自五个参数拟合的每个同位素异构体的谱带起源为12C14N：2042.42115（38）cm（-1），13C14N：2000.08479（23）cm（-1），12C15N：2011.25594（25）cm（- 1），13C15N：1968.22093（33）cm（-1），括号内给出的拟合度为标准偏差。由于自旋旋转相互作用，一些线显示出分解的分裂。将其平均以进行拟合。由upsilon = 0和四种同位素异构体的1个旋转常数得出的平均平衡核间距为1.171800（6）A，与微波光谱法确定的值非常吻合。
• Constructing Ordered Three-Dimensional TiO₂ Channels for Enhanced Visible-Light Photocatalytic Performance in CO₂ Conversion Induced by Au Nanoparticles
  作者：Hairong Xue、Tao Wang、Hao Gong、Hu Guo、Xiaoli Fan、Bin Gao、Yaya Feng、Xianguang Meng、Xianli Huang、Jianping He

  DOI：10.1002/asia.201701807

  日期：2018.3.2

  and limited visible‐light absorption. Herein, a novel Au‐nanoparticle (NP)‐decorated ordered mesoporous TiO2 (OMT) composite (OMT‐Au) was successfully fabricated, in which Au NPs were uniformly dispersed on the OMT. Due to the surface plasmon resonance (SPR) effect derived from the excited Au NPs, the TiO2 shows high photocatalytic performance for CO2 reduction under visible light. The ordered mesoporous

  作为典型的CO 2还原光催化剂，TiO 2的实际应用仍然受到光催化效率低和可见光吸收受限的困扰。本文成功制备了一种新型的金纳米粒子修饰的有序介孔TiO 2（OMT）复合材料（OMT-Au），其中金纳米颗粒均匀地分散在OMT上。由于源自激发的金纳米粒子的表面等离子体共振（SPR）效应，TiO 2在可见光下显示出高的光催化性能，可降低CO 2的还原能力。有序介孔TiO 2具有优良的材料和结构，具有高表面积，可提供更多的催化活性位。更重要的是，三维传输通道确保了气体分子的顺畅流动，高效的CO 2吸附以及从Au NPs激发的热电子的快速稳定传输，从而进一步提高了光催化性能。这些结果凸显了通过构建基于OMT的Au-SPR诱导的光催化剂来改善光催化可见光下CO 2还原的可能性。
• Kinetics and Mechanism of Methane, Methanol, and Dimethyl Ether C−H Activation with Electrophilic Platinum Complexes
  作者：Jonathan S. Owen、Jay A. Labinger、John E. Bercaw

  DOI：10.1021/ja056387t

  日期：2006.2.1

  s(-1) at 330 K; k = 2.7 +/- 0.2 x 10(-4) M(-1) s(-1) at 313 K). Addition of methanol to solutions of 2(TFE) rapidly establishes equilibrium between methanol (2(MeOD)) and trifluoroethanol (2(TFE)) adducts, with methanol binding preferentially (K(eq) = 0.0042 +/- 0.0006). C-H activation gives [(N-N)Pt(CH(2)OD)(MeOD)](+) (4), which is unstable and reacts with [(RO)B(C(6)F(5))(3)](-) to generate a pentafluorophenyl

  [(NN)PtMe(TFE-d(3))](+) ((NN) = ArN=C(Me)-C(Me)=NAr 对甲烷、甲醇和二甲醚的 CH 活化的相对速率;Ar = 3,5-二叔丁基苯基，TFE-d(3) = CF(3)CD(2)OD) (2(TFE))。甲烷活化动力学是通过在单晶蓝宝石 NMR 管中使 2(TFE)-(13)C 与 300-1000 psi 的甲烷反应来进行的；获得了干净的二阶行为（k = 1.6 +/- 0.4 x 10(-3) M(-1) s(-1) at 330 K；k = 2.7 +/- 0.2 x 10(-4) M( -1) s(-1) 在 313 K）。向 2(TFE) 溶液中添加甲醇会迅速建立甲醇 (2(MeOD)) 和三氟乙醇 (2(TFE)) 加合物之间的平衡，甲醇优先结合 (K(eq) = 0.0042 +/- 0.0006)。CH 活化产生 [(NN)Pt(CH(2)OD)(MeOD)](+)
• Visible-light-driven methane formation from CO2 with a molecular iron catalyst
  作者：Heng Rao、Luciana C. Schmidt、Julien Bonin、Marc Robert

  DOI：10.1038/nature23016

  日期：2017.8

  a few catalysts are stable and selective for CO2 reduction; moreover, these catalysts produce primarily CO or HCOOH, and catalysts capable of generating even low to moderate yields of highly reduced hydrocarbons remain rare. Here we show that an iron tetraphenylporphyrin complex functionalized with trimethylammonio groups, which is the most efficient and selective molecular electro- catalyst for converting

  将二氧化碳转化为燃料或化学原料化合物原则上可以减少化石燃料消耗和气候变化的二氧化碳排放。一种策略旨在由可再生能源的电力驱动的电化学转换，但也可以想象由阳光驱动的光化学方法。这两种方法的一个相当大的挑战是开发高效和选择性的催化剂，理想的是基于廉价和地球上丰富的元素而不是昂贵的贵金属。在报道的分子光催化剂和电催化剂中，只有少数催化剂对 CO2 还原稳定且具有选择性；此外，这些催化剂主要产生 CO 或 HCOOH，能够产生甚至低到中等收率的高度还原烃的催化剂仍然很少见。在这里，我们展示了三甲基氨基官能化的四苯基卟啉铁配合物，它是已知的将 CO2 转化为 CO 的最有效和选择性的分子电催化剂，也可以在环境温度下在可见光照射下催化 CO2 八电子还原为甲烷和压力。我们发现催化系统在含有光敏剂和牺牲电子供体的乙腈溶液中运行，可稳定运行数天。CO 是直接 CO2 光还原反应的主要产物，但先还原 CO2 然后还原
• Kauffman; Hauge; Margrave, High temperature science, 1984, vol. 17, p. 237 - 249
  作者：Kauffman、Hauge、Margrave

  DOI：——

  日期：——