Ab initio modeling of the solvent influence on the azo-hydrazone tautomerism

Dyes and Pigments

Volumn 40, Issue 2-3, 1999, Pages 163-170

  Antonov, L ^a   Kawauchi, S ^b   Satoh, M ^b   Komiyama, J ^b  

^a UNIVERSITY OF FORESTRY   (Bulgaria)

^b TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Azo dyes; Hydrogen bonding; Solvent effect; Tautomerism

Indexed keywords

COMPOSITION EFFECTS; HYDROGEN BONDS; MATHEMATICAL MODELS; ORGANIC SOLVENTS; PERMITTIVITY; PHASE EQUILIBRIA; QUANTUM THEORY;

AB INITIO QUANTUM CHEMICAL CALCULATIONS; SOLVENT EFFECT; TAUTOMERISM;

AZO DYES;

EID: 0032649937     PISSN: 01437208     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0143-7208(98)00044-8     Document Type: Article

References (17)

1. Zince T, Bindenwald M. Chem Ber 1884;17:3026.
2. Kuhn R, Bar F. Annalen 1935;516:143; Frierz-David HE, Blangey L, Streif H. Helv Chim Acta 1946;29:1718.
3. Kuhn R, Bar F. Annalen 1935;516:143; Frierz-David HE, Blangey L, Streif H. Helv Chim Acta 1946;29:1718.
4. Hempel R, Viola H, Morgenstern J, Mayer R. Journal Prakt Chem 1976;318:983; Kishimoto S, Kitahara S, Manabe O, Hiyama H. Journal Org Chem 1978;43:3882; Reeves RL, Kaiser RS. Journal Org Chem 1970;35:3670.
5. Hempel R, Viola H, Morgenstern J, Mayer R. Journal Prakt Chem 1976;318:983; Kishimoto S, Kitahara S, Manabe O, Hiyama H. Journal Org Chem 1978;43:3882; Reeves RL, Kaiser RS. Journal Org Chem 1970;35:3670.
6. Hempel R, Viola H, Morgenstern J, Mayer R. Journal Prakt Chem 1976;318:983; Kishimoto S, Kitahara S, Manabe O, Hiyama H. Journal Org Chem 1978;43:3882; Reeves RL, Kaiser RS. Journal Org Chem 1970;35:3670.
7. Mitsuishi M, Kanimura R, Ieda M, Shiokara K, Ishii N. Sen-i Gakkai Shi 1976;32:382.
8. Stoyanov S, Antonov L. Dyes and Pigments 1988;10:33; Antonov L, Stoyanov S. Anal Chim Acta 1995;314:225; Stoyanov S, Antonov L, Soloveytchik B, Petrova, V. Dyes and Pigments 1994;26:149.
9. Stoyanov S, Antonov L. Dyes and Pigments 1988;10:33; Antonov L, Stoyanov S. Anal Chim Acta 1995;314:225; Stoyanov S, Antonov L, Soloveytchik B, Petrova, V. Dyes and Pigments 1994;26:149.
10. Stoyanov S, Antonov L. Dyes and Pigments 1988;10:33; Antonov L, Stoyanov S. Anal Chim Acta 1995;314:225; Stoyanov S, Antonov L, Soloveytchik B, Petrova, V. Dyes and Pigments 1994;26:149.
11. Antonov L, Stoyanov S, Stoyanova T. Dyes and Pigments 1995;27:133; Antonov L, Stoyanov S. Dyes and Pigments 1996;28:31.
12. Antonov L, Stoyanov S, Stoyanova T. Dyes and Pigments 1995;27:133; Antonov L, Stoyanov S. Dyes and Pigments 1996;28:31.
13. Kelemen J. Dyes and Pigments 1981;2:73.
14. Dewar MJS, Zoebisch EG, Healy EF, Stewart JJP. Journal Am Chem Soc 1985;107:3902; Stewart JJ. MOPAC ver. 6, QCPE #455; Frisch MJ, Trucks GW, Schlegel HB, Gill PMW, Johnson BG, Robb MA, Cheeseman JR, Keith T, Petersson GA, Montgomery JA, Raghavachari K, Al-Laham MA, Zakrzewski VG, Ortiz JV, Foresman JB, Cioslowski J, Stefanov BB, Nanayakkara A, Challacombe M, Peng CY, Ayala PY, Chen W, Wong MW, Anders JL, Replogle ES, Gomperts R, Martin RL, Fox DJ, Binkley JS, Defrees DJ, Baker J, Stewart JP, Head-Gordon M, Gonzales C, Pople JA. Gaussian 94, Revision C.3. Pittsburgh, PA: Gaussian Inc., 1995.
15. Dewar MJS, Zoebisch EG, Healy EF, Stewart JJP. Journal Am Chem Soc 1985;107:3902; Stewart JJ. MOPAC ver. 6, QCPE #455; Frisch MJ, Trucks GW, Schlegel HB, Gill PMW, Johnson BG, Robb MA, Cheeseman JR, Keith T, Petersson GA, Montgomery JA, Raghavachari K, Al-Laham MA, Zakrzewski VG, Ortiz JV, Foresman JB, Cioslowski J, Stefanov BB, Nanayakkara A, Challacombe M, Peng CY, Ayala PY, Chen W, Wong MW, Anders JL, Replogle ES, Gomperts R, Martin RL, Fox DJ, Binkley JS, Defrees DJ, Baker J, Stewart JP, Head-Gordon M, Gonzales C, Pople JA. Gaussian 94, Revision C.3. Pittsburgh, PA: Gaussian Inc., 1995.
16. Dewar MJS, Zoebisch EG, Healy EF, Stewart JJP. Journal Am Chem Soc 1985;107:3902; Stewart JJ. MOPAC ver. 6, QCPE #455; Frisch MJ, Trucks GW, Schlegel HB, Gill PMW, Johnson BG, Robb MA, Cheeseman JR, Keith T, Petersson GA, Montgomery JA, Raghavachari K, Al-Laham MA, Zakrzewski VG, Ortiz JV, Foresman JB, Cioslowski J, Stefanov BB, Nanayakkara A, Challacombe M, Peng CY, Ayala PY, Chen W, Wong MW, Anders JL, Replogle ES, Gomperts R, Martin RL, Fox DJ, Binkley JS, Defrees DJ, Baker J, Stewart JP, Head-Gordon M, Gonzales C, Pople JA. Gaussian 94, Revision C.3. Pittsburgh, PA: Gaussian Inc., 1995.
17. Onsager L. Journal Am Chem Soc 1938;58:1486.