Utility of calculated 13C NMR chemical shifts in differentiating conformational isomers:: a study of metal-complexed and uncomplexed bispidines

被引：10

作者：

Panda, M ^{[1
]}

Phuan, PW ^{[1
]}

Kozlowski, MC ^{[1
]}

机构：

[1] Univ Penn, Dept Chem, Roy & Diana Vagelos Labs, Philadelphia, PA 19104 USA

来源：

CHEMICAL COMMUNICATIONS | 2002年 / 14期

关键词：

D O I：

10.1039/b201950g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Calculated C-13 NMR chemical shifts were key to assigning the structures of the conformational forms of complexed and uncomplexed bispidine derivatives.

引用

页码：1552 / 1553

页数：2

共 15 条

[1] THE MEASUREMENT OF THE ONE-FOLD ROTATIONAL BARRIER OF ECLIPSED BONDS - A DYNAMIC NMR DETERMINATION OF N-O OR N-CH2 BOND ROTATION IN N-ALKOXY-2,2,6,6-TETRAMETHYLPIPERIDINES OR N-ALKYL-2,2,6,6-TETRAMETHYLPIPERIDINES [J].

ANDERSON, JE ;

CASARINI, D ;

CORRIE, JET ;

LUNAZZI, L .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1993, (07) :1299-1304

[2] Vibrational circular dichroism study of (-)-sparteine [J].

Bour, P ;

McCann, J ;

Wieser, H .

JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (50) :9783-9790

[3] Quantitative determination of conformational equilibria in 3,7-diazabicyclo[3.3.1]nonane derivatives [J].

Brukwicki, T .

JOURNAL OF MOLECULAR STRUCTURE, 1998, 446 (1-2) :69-73

[4]

BUHL M, 1998, ENCY COMPUTATIONAL C, P1835

[5]

*COL U, 1999, MACR 6 5

[6]

*GAUSS INC, 2001, GAUSS 98 REV A 11

[7] THE RELATIONSHIP BETWEEN PROTON-PROTON NMR COUPLING-CONSTANTS AND SUBSTITUENT ELECTRONEGATIVITIES .1. AN EMPIRICAL GENERALIZATION OF THE KARPLUS EQUATION [J].

HAASNOOT, CAG ;

DELEEUW, FAAM ;

ALTONA, C .

TETRAHEDRON, 1980, 36 (19) :2783-2792

[8] Bispidine-derived N-acyliminium ions in synthesis:: stereocontrolled construction of the BCD rings of sparteine [J].

Harrison, JR ;

O'Brien, P .

TETRAHEDRON LETTERS, 2000, 41 (32) :6167-6170

[9] NMR shieldings in benzoyl and 2-hydroxybenzoyl compounds. Experimental versus GIAO calculated data [J].

Lampert, H ;

Mikenda, W ;

Karpfen, A ;

Kahlig, H .

JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (50) :9610-9617

[10] Conformational study of cyclodecane and substituted cyclodecanes by dynamic NMR spectroscopy and computational methods [J].

Pawar, DM ;

Smith, SV ;

Mark, HL ;

Odom, RM ;

Noe, EA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (41) :10715-10720

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