Theoretical studies on nitro substitution in keto-enol and imine-enamine tautomeric processes

Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry

Volumn 39, Issue 1-3, 2000, Pages 100-105

  Bharatam, Prasad V ^a  

^a GURU NANAK DEV UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ACETALDEHYDE; ENAMINE; IMINE;

ARTICLE; CHEMICAL STRUCTURE; ENERGY TRANSFER; GEOMETRY; HYDROGEN BOND; MOLECULAR STABILITY; THEORY;

EID: 0033733288     PISSN: 03764710     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (21)

1. Ingold C K, Structure and mechanism in organic chemistry (Cornell University Press New York), 1953.
2. Toullec J, Adv phys org Chem, 18 (1982) 1.
3. The chemistry of enols, edited by Z Rappoport (Wiley, Chichester), 1990.
4. Jemmis E D, Giju K T & Leszczynski J, J phys Chem A , 101 (1997) 7389.
5. Apeloig Y, Arad D & Rappoport Z, J Am chem Soc, 112 (1990) 9131.
6. Smith B J, Nguyen M T, Bouma W J & Radom L J Am chem Soc , 113 (1991) 6452.
7. Rappoport Z & Biali S E, Acc chem Res, 21 (1988) 442.
8. Wu C C & Lien M H, J phys Chem, 102 (1996) 594.
9. Smith B J & Radom L, J Am chem Soc, 114 (1992) 36.
10. Lammertsma K & Prasad B V, J Am chem Soc, 116 (1994) 642.
11. (a) Lammertsma K & Prasad B V, J Am chem Soc, 115 (1993) 2348;
12. (b) Harris N J & Lammertsma K, J Am chem Soc, 118 (1996) 8048.
13. Bock H, Dienelt R, Schodel H, Halvas Z, Herdtweck E & Herrmann W A, Angew Chem Int Ed Engl, 32 (1993) 1758.
14. Beksic D, Bertran J, Lluch J M & Hynes J T, J phys Chem A 102 (1998) 3977.
15. Bharatam P V & Lammertsma K (unpublished results).
16. (a) Prasad B V, Punam U & Bassi P S, Chem Phys Lett, 276 (1997) 31;
17. (b) Prasad B V, Punam U, Grover G & Kaur D, THEOCHEM, 458 (1999) 227.
18. For an introduction of the methods employed, see: Hehre W J, Radom L, Schleyer P V R & Pople J.A, Ab initio molecular orbital theory (Wiley, New York), 1986.
19. Gaussian94, Revision B.2, Frisch M J, Trucks G W, Schlegel H B, Gill P M W, Johnson B G, Robb M A, Cheeseman J R, Keith T, Petersson G A, Montgomery J A, Raghavachari K, Al-Laham M A, Zakrzewski V G, Ortiz J V, Foresman J B, Peng C Y, Ayala P Y, Chen W, Wong M W, Andres J L, Replogle E S, Gomperts R, Martin R L, Fox D J, Binkley J S, Defrees D J, Baker J, Stewart J P, Head-Gordon M, Gonzalez C & Pople J A, Gaussian, Inc., Pittsburgh PA, 1995.
20. Scott A P & Radom L, J phys Chem, 100 (1996) 16502.
21. Hazel A & Mukhopadhyay A, Acta Cryst, B36 (1980) 747.