Thermodynamic analysis of strain in heteroatom derivatives of indene

Journal of Physical Chemistry A

Volumn 115, Issue 44, 2011, Pages 12271-12279

  Verevkin, Sergey P ^a   Emel'Yanenko, Vladimir N ^a   Pimerzin, Andrey A ^b   Vishnevskaya, Elena E ^b  

^a UNIVERSITY OF ROSTOCK   (Germany)

^b SAMARA STATE TECHNICAL UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE RING; COMBUSTION CALORIMETRY; ENTHALPIES OF FORMATION; FIRST-PRINCIPLES CALCULATION; FIVE-MEMBERED RINGS; HETEROATOMS; HETEROCYCLIC COMPOUND; THERMO DYNAMIC ANALYSIS; THERMOCHEMICAL PROPERTIES;

BENZENE; ENTHALPY; ORGANIC COMPOUNDS; THERMOANALYSIS;

CALCULATIONS;

EID: 80455130107     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp203650d     Document Type: Article

References (39)

1. Streitwieser, A.; Heathcock, C. H. Introduction to Organic Chemistry, 3 rd ed.; MacMillan: New York, 1985; pp 81-87.
2. Verevkin, S. P.; Emel'yanenko, V. N.; Pimerzin, A. A.; Vishnevskaya, E. E. J. Phys. Chem. A 2011, 115, 1992-2004
3. Beckhaus, H. D.; Kozhushkov, S. I.; Belov, V. N.; Verevkin, S. P.; Rüchardt, C.; de Meijere, A. J. Am. Chem. Soc. 1995, 117, 11854-11860
4. Beckhaus, H. D.; Faust, R.; Matzger, A. J.; Mohler, D. L.; Rogers, D. W.; Rüchardt, C.; Sawhney, A. K.; Verevkin, S. P.; Vollhardt, P.; Wolf, S. J. Am. Chem. Soc. 2000, 122, 7819-7820
5. Karaguni, I. M.; Glüsenkamp, K. H.; Langerak, A.; Geisen, Ch.; Ullrich, V.; Winde, G.; Möröy, T.; Müller, O. Bioorg. Med. Chem. Lett. 2002, 12, 709-713
6. Ribeiro da Silva, M. A. V.; Cabral, J. I. T. A.; Gomes, J. R. B. J. Phys. Chem. A 2008, 112, 12263-12269
7. Ribeiro da Silva, M. A. V.; Cabral, J. I. T. A.; Gomes, J. R. B. J. Chem. Thermodyn. 2009, 41, 1193-1198
8. Steele, W. V.; Chirico, R. D. Thermodynamics and the hydrodeoxygenation of 2,3-Benzofuran,Cooperative Agreement No. FC22-83FE60149 (NIPEP-457); IIT Research Institute, NIPEP: Bartlesville, OK 74005, 1990; pp 1-75.
9. Kulikov, D.; Verevkin, S. P.; Heintz, A. Fluid Phase Equilib. 2001, 192, 187-207
10. Verevkin, S. P. Pure Component Phase Changes Liquid and Gas. In Experimental Thermodynamics: Measurement of the thermodynamic properties of multiple phases. (Eds.: Weir, R. D.; Loos, Th.W. De, Eds.; Elsevier: Amsterdam, 2005; Vol. 7, Chapter 1, pp 6-30.
11. Beckhaus, H. D.; Kratt, G.; Lay, K.; Geiselmann, J.; Rüchardt, C.; Kitschke, B.; Lindner, H. J. Chem. Ber. 1980, 113, 3441-3455
12. Hubbard, W. N.; Scott, D. W.; Waddington, G. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience Publishers: New York, 1956; pp 75-127.
13. The NBS Tables of Chemical Thermodynamics Properties. J. Phys. Chem. Ref. Data 1982, 11, Supplement No. 2.
14. Wieser, M. E.; Coplen, T. B. Pure Appl. Chem. 2011, 83, 359-396
15. Frisch, M. J. Gaussian 03, Revision B.04; Gaussian, Inc.: Pittsburgh, PA, 2003.
16. Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1999, 110, 4703
17. McQuarrie, D. A. Statistical Mechanics; Harper & Row: New York, 1976.
18. Chickos, J. S.; Acree, W. E., Jr. J. Phys. Chem. Ref. Data 2002, 31, 537-698
19. Chickos, J. S.; Acree, W. E., Jr. J. Phys. Chem. Ref. Data 2003, 32, 519-878
20. Stull, D. R.; Sinke, G. C.; McDonald, R. A.; Hatton, W. E.; Hildenbrand, D. L. Pure Appl. Chem. 1961, 315-322
21. Stull, D. R. Ind. Eng. Chem. 1947, 39, 517-540
22. Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. Neutral Thermochemical Data in NIST Standard Reference Database Number 69; Mallard, W. G.; Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 20899 (http://webbook.nist.gov).
23. Good, W. D. J. Chem. Eng. Data 1972, 17, 28-31
24. Pedley, J. P.; Naylor, R. D.; Kirby, S. P. Thermochemical Data of Organic Compounds, 2 nd ed.; Chapman and Hall: London, 1986.
25. Zimmerman, H.; Geisenfelder, H. Z. Electrochem. 1961, 65, 368-371
26. Stern, A.; Klebs, G. Ann. 1933, 504, 287-297
27. Serpinskii, V. V.; Voitkevich, S. A. Zhur. Fiz. Khim. (Russian edition) 1954, 28, 810-813
28. Aihara, A. J. Chem. Soc. Jpn. 1955, 76, 492
29. Arshadi, M. R. J. Chem. Soc., Faraday Trans. 1974, 70, 1569
30. Chickos, J. S.; Webb, P.; Nichols, C. J. Chem. Thermodyn. 2002, 34, 1195-1200
31. Ohlinger, W. S.; Klunzinger, P. E.; Deppmeier, B. J.; Hehre, W. J. J. Phys. Chem. A 2009, 113, 2165-2175
32. Schleyer, P. v. R.; Williams, J. E.; Blanchard, K. B. J. Am. Chem. Soc. 1970, 92, 2377-2386
33. Benson, S. W. Thermochemical Kinetics; Wiley: New York, 1976; p 274.
34. Cohen, N.; Benson, S. W. Chem. Rev. 1993, 93, 2419-2438
35. Beckhaus, H.-D. Chem. Ber. 1983, 116, 86-96
36. Verevkin, S. P.; Beckhaus, H.-D.; Schüle, U.; Rüchardt, C. Struct. Chem. 1998, 9, 1-7
37. Verevkin, S. P.; Beckhaus, H.-D.; Belen'kaja, R. S.; Rakus, K.; Rüchardt, C. Thermochim. Acta 1996, 279, 47-64
38. Verevkin, S. P. J. Therm. Anal. Calorim. 2000, 60, 437-451
39. Verevkin, S. P.; Welle, F. Struct. Chem. 1998, 9, 215-221