Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Radical reaction C3H+NO: a mechanistic study.

Hong-Bin Xie1, Yi-Hong Ding, Chia-Chung Sun

  • 1State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People's Republic of China.

Journal of Computational Chemistry
|February 14, 2006
PubMed
Summary

The simplest C(3)H radical reacts readily with NO, forming new compounds. This reaction is significant for combustion and interstellar chemistry, even at low temperatures.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Atmospheric Oxidation Mechanism of Benzimidazole initiated by Hydroxyl Radicals (<sup>•</sup>OH): Nitrosamine Formation from <sup>•</sup>OH-Addition Pathways.

Environmental science & technology·2026
Same author

[Structural Evolution and Carbon Emission Reduction Path in China's Power Sector Based on LEAP-ABM Model].

Huan jing ke xue= Huanjing kexue·2026
Same author

Atmospheric Autoxidation of Polycyclic Aromatic Hydrocarbons Offset Air Quality and Health Gains from Solid Fuel Restriction.

Environmental science & technology·2026
Same author

Field Evidence of New Particle Formation Assisted by Iodic Acid in Northern Coastal China.

Environmental science & technology·2026
Same author

Spontaneous Reaction between CO<sub>2</sub> and Organic Acids in Water Microdroplets: Implications for the Formation of Secondary Organic Aerosols.

Journal of the American Chemical Society·2026
Same author

Factors influencing the treatment duration and visual prognosis of cytomegalovirus retinitis after allogeneic hematopoietic stem cell transplantation.

International journal of ophthalmology·2026

Area of Science:

  • Chemical Kinetics
  • Theoretical Chemistry
  • Astrochemistry

Background:

  • Hydrocarbon radicals like C(3)H(3) and C(3)H(5) effectively deplete nitric oxide (NO).
  • The reactivity of the simplest C(3) radical (C(3)H) with NO remains unexplored theoretically and experimentally.

Purpose of the Study:

  • To conduct a detailed mechanistic study of the C(3)H + NO reaction.
  • To investigate the reaction pathways on both singlet and triplet electronic states.
  • To explore the role of C(3)H radicals in combustion and interstellar processes.

Main Methods:

  • Computational chemistry using the Gaussian-3//B3LYP/6-31G(d) level of theory.
  • Construction of potential energy surfaces (PESs) for the [H,C(3),N,O] system.
  • Analysis of reaction mechanisms, including isomerizations and bond ruptures.

Related Experiment Videos

Main Results:

  • The linear C(3)H + NO reaction proceeds barrierlessly to form HCCCNO, followed by O-elimination (triplet state) or O-transfer, N-insertion, and CN bond rupture (singlet state).
  • The cyclic C(3)H + NO reaction also proceeds barrierlessly on the singlet PES and with a small barrier on the triplet PES.
  • Singlet-triplet intersystem crossings were considered in the reaction dynamics.

Conclusions:

  • The C(3)H + NO reaction is efficient at low temperatures, impacting combustion and interstellar chemistry.
  • This study provides crucial insights into the understudied chemistry of the simplest C(3) radical.
  • The findings enrich the understanding of C(3)H radical's role in atmospheric and extraterrestrial environments.