Home

Citation: XU Si-Chuan, MA Li-Ying, BIAN Fu-Yong, SHI Qiang, GE Mao-Fa, ZHANG Xing-Kang. H₂O-Coupled Proton Transfer Mechanism and Hydrogen Tunneling Effects in the Reaction of H₂NCH₂CN with H₂O in the Interstellar Medium[J]. Acta Physico-Chimica Sinica, ;2009, 25(11): 2312-2318. doi: 10.3866/PKU.WHXB20091039 shu

H₂O-Coupled Proton Transfer Mechanism and Hydrogen Tunneling Effects in the Reaction of H₂NCH₂CN with H₂O in the Interstellar Medium

1.
Key Laboratory of Medicinal Chemistry of Natural Resource (Yunnan University), Ministry of Education, College of Chemical Science and Technology, Laboratory on the Origin of Life, Yunnan University, Kunming 650091, P. R. China

Received Date: 4 May 2009
Available Online: 14 September 2009

The reaction H2NCH2CN + H2O→H2NCH2C(OH)NH is an important reaction related to the formation of glycine in the interstellar medium (ISM) and the origin of amino acids in early Earth. This reaction in the gas phase proceeds slowly and this is confirmed by its energy barrier of 254.7 kJ·mol-1 as determined at the MP2/6-311+(d,p) level without considering hydrogen tunneling in the ISM. On icy grain surfaces in the ISM, however, its reactivity may be enhanced by H2Ocatalytic reactions. The reaction of H2NCH2CNwith (H2O)3 is optimal as two H2Omolecules act as a catalyst with reducing the activation energy by 77.5 kJ·mol-1 and the activation free energy by 70.9 kJ·mol-1. A proton moves in a concerted way through a hydrogen bonded bridge. Quantum hydrogen tunneling is a crucial pathway for this reaction to proceed and was investigated using the small curvature tunneling (SCT) approximation and canonical variational transition state theory (CVT). At 50 K, rate constant kSCT/CVT is 1.86×10-23 cm3·molecule-1·s-1, which demonstrates that the reaction is feasible by a hydrogen tunneling mechanism in the ISM. These results may support the theory that the origin of amino acids is fromthe materials of the Earth itself.
- H2NCH2CN,
- H2NCH2C(OH)NH,
- Interstellar medium,
- Amino acid origin,
- Proton transfer,
- Hydrogen tunneling
1. [1]
  Yanglin Jiang , Mingqing Chen , Min Liang , Yige Yao , Yan Zhang , Peng Wang , Jianping Zhang . Experimental and Theoretical Investigations of Solvent Polarity Effect on ESIPT Mechanism in 4′-N,N-diethylamino-3-hydroxybenzoflavone. Acta Physico-Chimica Sinica, 2025, 41(2): 100012-0. doi: 10.3866/PKU.WHXB202309027
2. [2]
  Yan Cheng , Hua-Peng Ruan , Yan Peng , Longhe Li , Zhenqiang Xie , Lang Liu , Shiyong Zhang , Hengyun Ye , Zhao-Bo Hu . Magnetic, dielectric and luminescence synergetic switchable effects in molecular material [Et₃NCH₂Cl]₂[MnBr₄]. Chinese Chemical Letters, 2024, 35(4): 108554-. doi: 10.1016/j.cclet.2023.108554
3. [3]
  Wei Zhong , Dan Zheng , Yuanxin Ou , Aiyun Meng , Yaorong Su . Simultaneously Improving Inter-Plane Crystallization and Incorporating K Atoms in g-C₃N₄ Photocatalyst for Highly-Efficient H₂O₂ Photosynthesis. Acta Physico-Chimica Sinica, 2024, 40(11): 2406005-0. doi: 10.3866/PKU.WHXB202406005
4. [4]
  Guoqiang Chen , Zixuan Zheng , Wei Zhong , Guohong Wang , Xinhe Wu . Molten Intermediate Transportation-Oriented Synthesis of Amino-Rich g-C₃N₄ Nanosheets for Efficient Photocatalytic H₂O₂ Production. Acta Physico-Chimica Sinica, 2024, 40(11): 2406021-0. doi: 10.3866/PKU.WHXB202406021
5. [5]
  Shuang Zhao , Fei Jia , Kaibei Zhan , Rui-Xi Wang , Pengfei Tan , Lin Shen , Li-Ming Wu , Ling Chen . Amino substitution strategy achieves significant blue shift while preserving high optical anisotropy: A₂(H₃C₃N₄S₂)₂•H₂O (A =NH₄, K, Rb, Cs). Chinese Chemical Letters, 2026, 37(3): 110625-. doi: 10.1016/j.cclet.2024.110625
6. [6]
  Xin Zhou , Yiting Huo , Songyu Yang , Bowen He , Xiaojing Wang , Zhen Wu , Jianjun Zhang . Understanding the effect of pH on protonated COF during photocatalytic H₂O₂ production by femtosecond transient absorption spectroscopy. Acta Physico-Chimica Sinica, 2025, 41(12): 100160-0. doi: 10.1016/j.actphy.2025.100160
7. [7]
  Min Zhang , Weimin Wang , Jun Li , Xun Zhu , Qian Fu . Efficient large-current conversion of CO₂ to C₂H₅OH via a ^*CO-^*OCH₂ coupling pathway on alkanethiol-modified Cu₂O array electrode. Chinese Chemical Letters, 2026, 37(1): 111926-. doi: 10.1016/j.cclet.2025.111926
8. [8]
  Zhi Zheng , Feiyang Liu , Junlong Zhao . D-Amino Acids and Mirror-Image Proteins. University Chemistry, 2026, 41(2): 353-359. doi: 10.12461/PKU.DXHX202505017
9. [9]
  Qi Wu , Changhua Wang , Yingying Li , Xintong Zhang . Enhanced photocatalytic synthesis of H₂O₂ by triplet electron transfer at g-C₃N₄@BN van der Waals heterojunction interface. Acta Physico-Chimica Sinica, 2025, 41(9): 100107-0. doi: 10.1016/j.actphy.2025.100107
10. [10]
  Ran Yu , Chen Hu , Ruili Guo , Ruonan Liu , Lixing Xia , Cenyu Yang , Jianglan Shui . Catalytic Effect of H₃PW₁₂O₄₀ on Hydrogen Storage of MgH₂. Acta Physico-Chimica Sinica, 2025, 41(1): 100001-0. doi: 10.3866/PKU.WHXB202308032
11. [11]
  Yong Shu , Xing Chen , Sai Duan , Rongzhen Liao . How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules: A Case Study of H₂. University Chemistry, 2024, 39(7): 386-393. doi: 10.3866/PKU.DXHX202310102
12. [12]
  Muzi Li , Xin Zhang , Xiang-Jing Kong , Qiancheng Chen , Xuefeng Bai , Tao He , Jian-Rong Li . Ion exchange for enhancing MOF adsorbents performance in humid C₂H₂/CO₂ separation. Chinese Chemical Letters, 2026, 37(3): 110709-. doi: 10.1016/j.cclet.2024.110709
13. [13]
  Yun Zhou , Geqian Fang , Haiyan Wang , Wenjun Yu , Chun Zhu , Jin-Xia Liang , Jian Lin . Non-covalent interactions between adsorbed •OH species and UiO-66-NH2 for methane hydroxylation. Chinese Journal of Structural Chemistry, 2025, 44(8): 100629-100629. doi: 10.1016/j.cjsc.2025.100629
14. [14]
  Zhiqiang XING , Jinling LIU , Mingmin SU , Lei ZHANG , Lijun YANG . CoNi dual-single-atom catalyst for electrocatalytic H₂O₂ production and in situ electro-Fenton degradation of pollutants. Chinese Journal of Inorganic Chemistry, 2025, 41(12): 2479-2490. doi: 10.11862/CJIC.20250181
15. [15]
  Tong Li , Leping Pan , Yan Zhang , Jihu Su , Kai Li , Kuiliang Li , Hu Chen , Qi Sun , Zhiyong Wang . Electrochemical construction of 2,5-diaryloxazoles via N–H and C(sp³)-H functionalization. Chinese Chemical Letters, 2024, 35(4): 108897-. doi: 10.1016/j.cclet.2023.108897
16. [16]
  Yi Luo , Lin Dong . Multicomponent remote C(sp²)-H bond addition by Ru catalysis: An efficient access to the alkylarylation of 2H-imidazoles. Chinese Chemical Letters, 2024, 35(10): 109648-. doi: 10.1016/j.cclet.2024.109648
17. [17]
  Yi Yang , Xin Zhou , Miaoli Gu , Bei Cheng , Zhen Wu , Jianjun Zhang . Femtosecond transient absorption spectroscopy investigation on ultrafast electron transfer in S-scheme ZnO/CdIn₂S₄ photocatalyst for H₂O₂ production and benzylamine oxidation. Acta Physico-Chimica Sinica, 2025, 41(6): 100064-0. doi: 10.1016/j.actphy.2025.100064
18. [18]
  Xiaodong Zhang , Bohui Xu , Deshuai Xiao , Xinyuan Zhang , Pifu Gong , Zheshuai Lin . From centrosymmetric CN3H6C6H5SO3 to non-centrosymmetric CN3H6C6H4SO3(OH): Hydroxyl introduced hydrogen bond reconstruction to realize strong second harmonic generation. Chinese Journal of Structural Chemistry, 2025, 44(10): 100707-100707. doi: 10.1016/j.cjsc.2025.100707
19. [19]
  Yongheng Ren , Yang Chen , Hongwei Chen , Lu Zhang , Jiangfeng Yang , Qi Shi , Lin-Bing Sun , Jinping Li , Libo Li . Electrostatically driven kinetic Inverse CO2/C2H2 separation in LTA-type zeolites. Chinese Journal of Structural Chemistry, 2024, 43(10): 100394-100394. doi: 10.1016/j.cjsc.2024.100394
20. [20]
  Huirong Chen , Yingzhi He , Yan Han , Jianbo Hu , Jiantang Li , Yunjia Jiang , Basem Keshta , Lingyao Wang , Yuanbin Zhang . A new SIFSIX anion pillared cage MOF with crs topological structure for efficient C2H2/CO2 separation. Chinese Journal of Structural Chemistry, 2025, 44(2): 100508-100508. doi: 10.1016/j.cjsc.2024.100508

Get Citation

PDF

XML

Metrics

PDF Downloads(1342)
Abstract views(2999)
HTML views(35)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return

H2O-Coupled Proton Transfer Mechanism and Hydrogen Tunneling Effects in the Reaction of H2NCH2CN with H2O in the Interstellar Medium

Metrics

通讯作者: 陈斌, bchen63@163.com

H₂O-Coupled Proton Transfer Mechanism and Hydrogen Tunneling Effects in the Reaction of H₂NCH₂CN with H₂O in the Interstellar Medium