Molecular structure of a unique UV stabilizer: Tinuvin P
被引:32
作者:
Catalan, J
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机构:Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco
Catalan, J
dePaz, JLG
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h-index: 0
机构:Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco
dePaz, JLG
Torres, MR
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机构:Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco
Torres, MR
Tornero, JD
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机构:Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco
Tornero, JD
机构:
[1] Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco
来源:
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
|
1997年
/
93卷
/
09期
关键词:
D O I:
10.1039/a607652a
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
The gas-phase and crystal structures of Tinuvin P were established by ab initio MP2-6-31G** level calculations and X-ray diffraction, respectively; both structures were found to include a strong intramolecular hydrogen bond. The IR transitions for this compound were determined theoretically and experimentally, as were the corresponding Raman activities. Intercyclic torsion about the N(1)-C(1) bond exhibits a very low vibrational frequency (13 cm(-1)). Based on the photophysical evidence obtained, the crystalline state of Tinuvin P may not be a suitable photophysical model for the compound in solution.