Spectroscopic characteristics of the micro-environmentally induced H-bond transformation in anil-type species: Experimental and theoretical study

Journal of Molecular Modeling

Volumn 11, Issue 4-5, 2005, Pages 398-406

  Lewanowicz, Aleksandra ^a   Olszowski, Andrzej ^a   Dziekoński, Paweł ^a   Leszczyński, Jerzy ^b  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b JACKSON STATE UNIVERSITY   (United States)

Author keywords

Ab initio method; Fundamental vibration frequency; Luminescence; N salicylidene methylamine; N triphenylmethylsalicylidene imine; Proton transfer

Indexed keywords

ACETONITRILE; ANILINE DERIVATIVE; HYDROGEN; METHANOL; N SALICYLIDENE METHYLAMINE; N SALICYLIDENEANILINE; N TRIPHENYLMETHYLSALICYLIDENE IMINE; OCTANE; UNCLASSIFIED DRUG;

ABSORPTION SPECTROSCOPY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; EXCITATION; FLAME PHOTOMETRY; FLUORESCENCE SPECTROSCOPY; FREQUENCY ANALYSIS; HYDROGEN BOND; INFRARED SPECTROSCOPY; MICROENVIRONMENT; MOLECULAR DYNAMICS; MOLECULAR STABILITY; PREDICTION; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM CHEMISTRY; RAMAN SPECTROMETRY; ROOM TEMPERATURE; SPECTROSCOPY; STEADY STATE; THEORETICAL MODEL;

ACETONITRILES; HYDROGEN BONDING; IMINES; METHANOL; METHYLAMINES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; OCTANES; PHOTOCHEMISTRY; PROTONS; SOLVENTS; SPECTROMETRY, FLUORESCENCE; SPECTROSCOPY, NEAR-INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 27844544293     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-005-0262-9     Document Type: Article

References (35)

1. Senier A, Shepheard FG (1909) J Chem Soc 45:441-445
2. Cohen MD, Hirshberg Y, Schmidt GMJ (1964) J Chem Soc 2051-2059
3. Nakagaki R, Kobayashi T, Nakamura J, Nagakura S (1977) Bull Chem Soc Jpn 50:1909-1912
4. Higelin D, Sixl H (1983) Chem Phys 77:391-400 10.1016/ 0301-0104(83)85093-9
5. Zgierski M, Grabowska A (2000) J Chem Phys 112:6329-6337;
6. ibid 113:7845-7852
7. Otsubo N, Okabe C Mori H, Sakota K, Amimoto K, Kawato T, Sekiya H (2002) J Photochem Photobiol A 154:33-39 10.1016/S1010-6030(02)00306-4
8. Ottolenghi M, McClure DS (1967) J Chem Phys 46:4620-4629 10.1063/ 1.1840612
9. Harada J, Uekusa H, Ohashi Y (1999) J Am Chem Soc 121:5809-5810 10.1021/ ja9842969
10. EHA Kramer 1990 Photochromism based on tautomerism (hydrogen transfer) In: H Dürr H Bouas-Laurent (Eds.), Studies in organic chemistry Elsevier Amsterdam
11. E Hadjoudis 1990 Photochromism. Molecules and systems In: H Dürr H Bouas-Laurent (Eds.) Studies in organic chemistry Elsevier Amsterdam
12. Cohen MD, Schmidt GMJ (1962) J Am Chem Soc 66:2442-2446 1:CAS:528:DyaF3sXisVGrtQ%3D%3D
13. Becker R, Richey WF (1967) J Am Chem Soc 89:1298-1302 10.1021/ja00982a003
14. Richey WF, Becker R (1968) J Chem Phys 49:2092-2101 10.1063/1.1670370
15. Simonowa AP, Nurmukhametov RN, Prokhoda AL (1976) Dokl Phys Chem 230:936-942
16. Nagaoka Shin-ichi, Nakamura A, Nagashima U (2002) J Photochem Photobiol A 154:23-32 10.1016/S1010-6030(02)00305-2
17. Balamurali MM, Dogra SK (2002) J Photochem Photobiol A 154:81-92 10.1016/ S1010-6030(02)00308-8
18. Turbeville W, Dutta PK (1990) J Phys Chem 94:4060-4066 10.1021/ j100373a033
19. Lewanowicz A (2003) SPIE 5136:301-310 10.1117/12.519743
20. Barbara PF, Renzepis PM, Brus LE (1980) J Am Chem Soc 102:2786-2791 10.1021/ja00528a045
21. Kownacki K, Mordziński A, Wilbrandt R, Grabowska A (1994) Chem Phys Lett 227:270-276 10.1016/0009-2614(94)00826-4
22. Lewis JW, Sandorfy C (1982) Can J Chem 60:1738-1740 1:CAS:528:DyaL38Xlt1Krt70%3D
23. Yuzawa T, Takahashi H, Hamaguchi H (1993) Chem Phys Lett 202:221-226 10.1016/0009-2614(93)85269-T
24. Becker RS, Lenoble C, Zein A (1987) J Phys Chem 91:3509-3517 10.1021/ j100297a011
25. Ledbetter Jr JW (1977) J Phys Chem 81:54-59 10.1021/j100516a013
26. Ledbetter JW (1982) J Phys Chem 86:2449-2451 10.1021/j100210a041
27. Lee Ho-hi, Kitgawa T (1986) Chem Soc Jpn 59:2897-2898
28. Grabowska A, Kownacki K, Kaczmarek (1995) Acta Phys Pol A 88:1081-1088 1:CAS:528:DyaK28XlsVen
29. Matusiak M, Wrzeszcz W, Dziembowska T, Hawranek JP (2004) J Mol Struct 704:2243-2247 10.1016/j.molstruc.2004.01.056
30. Olszowski A, Lewanowicz A, Dziekońki P, Sokalski WA, Leszczyński J (2004) Mol Cryst Liq Cryst (in press)
31. Hynes JT, Tran-Thi T-H, Granucci G (2002) J Photochem Photobiol A 154:3-11 10.1016/S1010-6030(02)00304-0
32. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (1998) Gaussian 98, Revision A9. Gaussian Inc, Pittsburgh, PA
33. Pople JA, Krishnan HB, Schlegel HB, Binkley JS (1975) Int Quantum Chem Symp 13:225-228
34. Weller A (1961) Fast reactions of excited molecules. In: Porter G (ed) Progress in reaction kinetics I. Pergamon, London
35. Klöpffer W (1977) Adv Photochem 10:311-358