Ab Initio Quantum Chemical Studies of Reactions in Astrophysical Ices: 2. Reactions in H2CO/HCN/HNC/H2O Ices

Icarus

Volumn 149, Issue 1, 2001, Pages 277-284

  Woon, David E ^a  

^a MOLECULAR RESEARCH INSTITUTE   (United States)

Author keywords

Ices; Interplanetary dust; Organic chemistry

Indexed keywords

EID: 0001262707     PISSN: 00191035     EISSN: None     Source Type: Journal    
DOI: 10.1006/icar.2000.6524     Document Type: Article

References (24)

1. Allamandola, L. J., M. P. Bernstein, and S. A. Sandford1997. Photochemical evolution of interstellar/precometary organic material. In Astronomical and Biochemical Origins and the Search for Life in the UniverseC. B. Cosmovici, S. Bowyer, and D. Werthimer, Eds., pp. 23-47. Editrice Compositori, Bologna.
2. Bernstein, M. P.1999. Water ice on comets and satellites. In Laboratory Astrophysics and Space ResearchP. Ehrenfreund, K. Krafft, H. Kochran, and V. Pirronello, Eds., pp. 105-120. Kluwer, Dordrecht.
3. Bernstein M. P., Sandford S. A., Allamandola L. J., Chang S., Scharberg M. A. Organic compounds produced by photolysis of realistic interstellar and cometary ice analogs containing methanol. Astrophys. J. 454:1995;327-344.
4. Bernstein M. P., Sandford S. A., Allamandola L. J., Gillette J. S., Clemett S. J., Zare R. N. UV irradiation of polycyclic aromatic hydrocarbons in ices: Production of alcohols, quinones, and ethers. Science. 283:1999;1135-1138.
5. Bockelée-Morvan D., Lis D. C., Wink J. E., Despois D., Crovisier J., Bachiller R., Benford D. J., Biver N., Colom P., Davies J. K., Gérard E., Germain B., Houde M., Mehringer D., Moreno R., Paubert G., Philips T. G., Rauer H. New molecules found in Comet C/1995 O1 (Hale-Bopp). Investigating the link between cometary and interstellar material. Astron. Astrophys. 353:2000;1101-1104.
6. Clark T., Chandrasekhar J., Spitznagel G. W., Schleyer P. v. R. Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first row atoms. J. Comp. Chem. 4:1983;294-301.
7. 2. Astrophys. J. 505:1998;443-451.
8. 2 ice mixtures and their astrophysical implications. Astron. Astrophys. 350:1999;240-253.
9. Foresman J. B., Keith T. A., Wiberg K. B., Snoonian J., Frisch M. J. Solvent effects. 5. The influence of cavity shape, truncation of electrostatics, and electron correlation on ab initio reaction field calculations. J. Phys. Chem. 200:1996;16098-16104.
10. 2 ices. UV photolysis vs. proton bombardment. Astron. Astrophys. 357:2000;793-800.
11. Greenberg J. M., Gillette J. S., Muñoz Caro G. H., Mahajan T. B., Zare R. N., Li A., Schutte W. A., De Groot M., Mendoza-Gómez C. Ultraviolet processing of interstellar dust mantles as a source of polycyclic aromatic hydrocarbons and other conjugated molecules. Astrophys. J. 531:2000;L71-L73.
12. Hariharan P. C., Pople J. A. The influence of polarization functions on molecular orbital hydrogenation energies. Theor. Chim. Acta. 28:1973;213-222.
13. 3 in Comet Hale-Bopp. Astrophys. J. 520:1999;895-900.
14. Herpin F., Cernicharo J. O-Bearing molecules in carbon-rich proto-planetary objects. Astrophys. J. 530:2000;L129-L132.
15. Hudson R. L., Moore M. H. Laboratory studies of the formation of methanol and other organic molecules by carbon monoxide radiolysis: Relevance to comets, icy satellites, and interstellar ices. Icarus. 140:1999;451-461.
16. Irvine W. M. The composition of interstellar molecular clouds. Space Sci. Rev. 90:1999;203-218.
17. Messenger S., Amari S., Gao X., Walker R. M., Clemett S. J., Chillier X. D. F., Zare R. N., Lewis R. S. Indigenous polycyclic aromatic hydrocarbons in circumstellar graphite grains from primitive meteorites. Astrophys. J. 502:1998;284-295.
18. Møller C., Plesset M. S. Note on approximate treatment for many-electron systems. Phys. Rev. 46:1934;618-622.
19. Morrison R. T., Boyd R. N. Organic Chemistry. 1973;588-589.
20. Palumbo M. E., Castorina A. C., Stazzulla G. Ion irradiation effects on frozen methanol. Astron. Astrophys. 342:1999;551-562.
21. Schutte W. A., Allamandola L. J., Sandford S. A. Formaldehyde and organic molecule production in astrophysical ices at cryogenic temperatures. Science. 259:1993a;1143-1145.
22. Schutte W. A., Allamandola L. J., Sandford S. A. An experimental study of the organic molecules produced in cometary and interstellar ice analogs by thermal formaldehyde reactions. Icarus. 104:1993b;118-137.
23. 2O ices. Icarus. 142:1999;550-556.
24. Ziurys L. M., Savage C., Brewster M. A., Apponi A. J., Pesch T. C., Wyckoff S. Cyanide chemistry in Comet Hale-Bopp (C/1995 O1). Astrophys. J. 527:1999;L67-L71.