Theoretical CD spectrum calculations of the crown-ether aralkyl-ammonium salt complex

Chirality

Volumn 14, Issue 5, 2002, Pages 377-385

  Lázár, Armand ^a,b   Ángyán, János G ^a   Hollósi, Miklós ^b   Huszthy, Péter ^c   Surján, Péter R ^b  

^a UNIVERSITÉ DE LORRAINE   (France)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^c BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

Coupled oscillator model; Exciton mechanism; Random phase approximation; Rotatory strength

Indexed keywords

ALPHA (1 NAPHTHYL)ETHYLAMMONIUM PERCHLORATE PHENAZINO 18 CROWN 6 ETHER; AMMONIUM DERIVATIVE; CROWN ETHER DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CHIRALITY; CHROMATOPHORE; CIRCULAR DICHROISM; COMPLEX FORMATION; MATHEMATICAL ANALYSIS; OPTICAL ROTATION; OSCILLATOR; PRIORITY JOURNAL; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 0036249531     PISSN: 08990042     EISSN: None     Source Type: Journal    
DOI: 10.1002/chir.10094     Document Type: Article

References (21)

1. Nitrogen bridgehead compounds 32. Absolute configuration and circular dichroism of 6-methyl-tetrahydro-4H-pyrido-1,2-pyrimidin-4-ones
2. Nitrogen bridgehead compounds 48. Synthesis and stereochemistry of 4-oxo-1,6,7,8,9,9-hexahydro-4H-pyrido(1,2-) pyrimidine-3-carboxamides
3. Enandomerically pure chiral phenazino-crown ethers: Synthesis, preliminary circular dichroism spectroscopic studies and complexes with the enantiomers of 1-arethyl ammonium salts
4. Circular dichroism of host-guest complexes of achiral pyridino- and phenazino-18-crown-6 ligands with the enantiomers of chiral aralkyl ammonium salts
5. Natural chiroptical spectroscopy: Theory and computations
6. On the theory of natural optical activity
7. Symmetry rules for optical rotation
8. Enantiomeric recognition of α-(1-naphtyl)ethylammomium perchlorate by enatiomerically pure dimethylphenazino-18-crown-6 ligand in solid and gas phases
9. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
10. Gaussian basis sets for use in correlated molecular calculations IV. Calculation of static electrical response properties
11. 2 + H reaction
12. Gaussian basis sets for use in correlated molecular calculations. VI. Hextuple zeta correlation consistent basis sets for boron through neon
13. A collective description of electron interaction. III. Coulomb interactions in a degenerate electron gas
14. Vibrational states of nuclei in the random phase approximation
15. Large scale RPA calculations of chiroptical properties of organic molecules: Program RPAC
16. Propagator methods
17. Use of the CNDO method in spectroscopy. I. Benzene, pyridine and the diazines
18. Use of the CNDO method in spectroscopy. II. Five-membered rings