[13C]Dynamic NMR and Molecular Modeling of 2,4-Bis(N-Pyrrolidinyl)-6-chloro-s-triazine
Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at d...
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E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2000 |
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| Umfang: |
4 |
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| Reproduktion: |
Springer Online Journal Archives 1860-2002 |
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| Übergeordnetes Werk: |
in: Structural chemistry - 1990, 11(2000) vom: Mai, Seite 303-306 |
| Übergeordnetes Werk: |
volume:11 ; year:2000 ; month:05 ; pages:303-306 ; extent:4 |
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| 520 | |a Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. | ||
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| 700 | 1 | |a Cavalcante, Márcia F. |4 oth | |
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(DE-627)NLEJ198568754 DE-627 ger DE-627 rakwb eng [13C]Dynamic NMR and Molecular Modeling of 2,4-Bis(N-Pyrrolidinyl)-6-chloro-s-triazine 2000 4 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. Springer Online Journal Archives 1860-2002 Rumjanek, Victor M. oth da Costa, João Batista N. oth Echevarria, Áurea oth Cavalcante, Márcia F. oth in Structural chemistry 1990 11(2000) vom: Mai, Seite 303-306 (DE-627)NLEJ188989943 (DE-600)2018832-8 1572-9001 nnns volume:11 year:2000 month:05 pages:303-306 extent:4 http://dx.doi.org/10.1023/A:1009238326751 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 11 2000 5 303-306 4 |
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(DE-627)NLEJ198568754 DE-627 ger DE-627 rakwb eng [13C]Dynamic NMR and Molecular Modeling of 2,4-Bis(N-Pyrrolidinyl)-6-chloro-s-triazine 2000 4 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. Springer Online Journal Archives 1860-2002 Rumjanek, Victor M. oth da Costa, João Batista N. oth Echevarria, Áurea oth Cavalcante, Márcia F. oth in Structural chemistry 1990 11(2000) vom: Mai, Seite 303-306 (DE-627)NLEJ188989943 (DE-600)2018832-8 1572-9001 nnns volume:11 year:2000 month:05 pages:303-306 extent:4 http://dx.doi.org/10.1023/A:1009238326751 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 11 2000 5 303-306 4 |
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(DE-627)NLEJ198568754 DE-627 ger DE-627 rakwb eng [13C]Dynamic NMR and Molecular Modeling of 2,4-Bis(N-Pyrrolidinyl)-6-chloro-s-triazine 2000 4 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. Springer Online Journal Archives 1860-2002 Rumjanek, Victor M. oth da Costa, João Batista N. oth Echevarria, Áurea oth Cavalcante, Márcia F. oth in Structural chemistry 1990 11(2000) vom: Mai, Seite 303-306 (DE-627)NLEJ188989943 (DE-600)2018832-8 1572-9001 nnns volume:11 year:2000 month:05 pages:303-306 extent:4 http://dx.doi.org/10.1023/A:1009238326751 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 11 2000 5 303-306 4 |
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(DE-627)NLEJ198568754 DE-627 ger DE-627 rakwb eng [13C]Dynamic NMR and Molecular Modeling of 2,4-Bis(N-Pyrrolidinyl)-6-chloro-s-triazine 2000 4 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. Springer Online Journal Archives 1860-2002 Rumjanek, Victor M. oth da Costa, João Batista N. oth Echevarria, Áurea oth Cavalcante, Márcia F. oth in Structural chemistry 1990 11(2000) vom: Mai, Seite 303-306 (DE-627)NLEJ188989943 (DE-600)2018832-8 1572-9001 nnns volume:11 year:2000 month:05 pages:303-306 extent:4 http://dx.doi.org/10.1023/A:1009238326751 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 11 2000 5 303-306 4 |
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(DE-627)NLEJ198568754 DE-627 ger DE-627 rakwb eng [13C]Dynamic NMR and Molecular Modeling of 2,4-Bis(N-Pyrrolidinyl)-6-chloro-s-triazine 2000 4 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. Springer Online Journal Archives 1860-2002 Rumjanek, Victor M. oth da Costa, João Batista N. oth Echevarria, Áurea oth Cavalcante, Márcia F. oth in Structural chemistry 1990 11(2000) vom: Mai, Seite 303-306 (DE-627)NLEJ188989943 (DE-600)2018832-8 1572-9001 nnns volume:11 year:2000 month:05 pages:303-306 extent:4 http://dx.doi.org/10.1023/A:1009238326751 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 11 2000 5 303-306 4 |
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[13c]dynamic nmr and molecular modeling of 2,4-bis(n-pyrrolidinyl)-6-chloro-s-triazine |
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[13C]Dynamic NMR and Molecular Modeling of 2,4-Bis(N-Pyrrolidinyl)-6-chloro-s-triazine |
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Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. |
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Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. |
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Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement. |
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[13C]Dynamic NMR and Molecular Modeling of 2,4-Bis(N-Pyrrolidinyl)-6-chloro-s-triazine |
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