Searching for a good candidate to perform a chiral nuclear magnetic resonance experiment in disordered phase: A study of 8,9-difluoro-P-hexahelicene

Chirality

Volumn 23, Issue 9, 2011, Pages 752-755

  Monaco, Guglielmo ^a   Zanasi, Riccardo ^a  

^a UNIVERSITY OF SALERNO   (Italy)

Author keywords

chiral discrimination; hexahelicene; NMR; shielding polarizability

Indexed keywords

8,9 DIFLUORO P HEXAHELICENE; CHEMICAL COMPOUND; FLUORINE; UNCLASSIFIED DRUG;

ARTICLE; ATOM; CHEMICAL STRUCTURE; CHIRALITY; DIPOLE; ELECTRIC POTENTIAL; NUCLEAR MAGNETIC RESONANCE IMAGING; POLARIZATION; PRIORITY JOURNAL;

EID: 80052810740     PISSN: 08990042     EISSN: 1520636X     Source Type: Journal    
DOI: 10.1002/chir.20976     Document Type: Article

References (17)

1. Parker D,. NMR determination of enantiomeric purity. Chem Rev 1991; 91: 1441-1457.
2. Canet I, Courtieu J, Loewenstein A, Meddour A, Pechine JM,. Enantiomeric analysis in a polypeptide lyotropic liquid crystal by deuterium NMR. J Am Chem Soc 1995; 117: 6520-6526.
3. Harris RA, Jameson CJ,. A note on chirality in NMR spectroscopy. J Chem Phys 2006; 124: 096101-096102.
4. Buckingham AD,. Chemical shifts in the nuclear magnetic resonance spectra of molecules containing polar groups. Can J Chem 1960; 38: 300-307.
5. Buckingham AD,. Chirality in NMR spectroscopy. Chem Phys Lett 2004; 398: 1-5.
6. Buckingham AD, Fischer P,. Direct chiral discrimination in NMR spectroscopy. Chem Phys 2006; 324: 111-116.
7. Lazzeretti P, Soncini A, Zanasi R,. Response tensors for chiral discrimination in NMR spectroscopy. Theor Chem Account 2008; 119: 99-106.
8. a)-1,3-dimethylallene, (2R)-2-methyloxirane, and (2R)-N-methyloxaziridine. J Comput Chem 2007; 28: 2159-2163. (Pubitemid 47265254)
9. Newman MS, Lednicer D,. The synthesis and resolution of hexahelicene. J Am Chem Soc 1956; 78: 4765-4770.
10. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA, Gaussian 03, Revision B.05, Pittsburgh PA: Gaussian, Inc.; 2003.
11. Lazzeretti P, Malagoli M, Zanasi R,. System Modena Package for Response Properties (SYSMO). Modena: University of Modena; 2006.
12. Lazzeretti P, Malagoli M, Zanasi R,. Computational approach to molecular magnetic properties by continuous transformation of the origin of the current density. Chem Phys Lett 1994; 220: 299-304.
13. Zanasi R,. Coupled Hartree-Fock calculations of molecular magnetic properties annihilating the transverse paramagnetic current density. J Chem Phys 1996; 105: 1460-1469. (Pubitemid 126612939)
14. Soncini A, Lazzeretti P, Zanasi R,. Invariance of magnetic-field induced current density to a continuous transformation of the origin of the coordinate system. Chem Phys Lett 2006; 421: 21-26.
15. Giorgio E, Viglione RG, Zanasi R, Rosini C,. Ab initio calculation of optical rotator dispersion (ORD) curves: a simple and reliable approach to the assignment of the molecular absolute configuration. J Am Chem Soc 2004; 126: 12968-12976. (Pubitemid 39372326)
16. Raghavan P,. Table of nuclear moments. Atom Data Nucl Data Tables 1989; 42: 189-291.
17. Mohr PJ, Taylor BN, Newell DB,. CODATA recommended values of the fundamental physical constants: 2006. Rev Mod Phys 2008; 80: 633-730.