A model for the calculation of proton chemical shifts in non-conjugated organic compounds

被引:46
作者
Abraham, RJ [1 ]
机构
[1] Univ Liverpool, Dept Chem, Liverpool L69 3BX, Merseyside, England
基金
英国工程与自然科学研究理事会;
关键词
proton chemical shifts; charge; steric; anisotropy; electric field; non-conjugated organic compound;
D O I
10.1016/S0079-6565(99)00007-2
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
[No abstract available]
引用
收藏
页码:85 / 152
页数:68
相关论文
共 124 条
[11]   SUBSTITUENT CHEMICAL-SHIFTS IN NMR .4. - H-1 SCS IN SOME 2-SUBSTITUTED NORBORNANES AND BORNANES [J].
ABRAHAM, RJ ;
BARLOW, AP ;
ROWAN, AE .
MAGNETIC RESONANCE IN CHEMISTRY, 1989, 27 (11) :1074-1084
[12]   Proton chemical shifts in NMR .8. Electric field effects and fluorine substituent chemical shifts (SCS) [J].
Abraham, RJ ;
Warne, MA ;
Griffiths, L .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1997, (02) :203-207
[13]   CONFORMATIONAL-ANALYSIS .22. AN NMR AND THEORETICAL INVESTIGATION OF THE GAUCHE EFFECT IN FLUOROETHANOLS [J].
ABRAHAM, RJ ;
CHAMBERS, EJ ;
THOMAS, WA .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1994, (05) :949-955
[14]   CALCULATION OF PROTON CHEMICAL-SHIFTS IN HYDROCARBONS [J].
ABRAHAM, RJ ;
EDGAR, M ;
GRIFFITHS, L ;
POWELL, RL .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1993, (20) :1544-1545
[15]   CHARGE CALCULATIONS IN MOLECULAR MECHANICS .3. AMINO-ACIDS AND PEPTIDES [J].
ABRAHAM, RJ ;
HUDSON, B .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (03) :173-181
[16]   Proton chemical shifts in NMR .10. Bromine and iodine substituent chemical shifts (SCS) and an analysis of the contributions to the SCS in halocyclohexanes [J].
Abraham, RJ ;
Warne, MA ;
Griffiths, L .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1997, (11) :2151-2160
[17]   Proton chemical shifts in NMR spectroscopy .7. C-C anisotropy and the methyl effect [J].
Abraham, RJ ;
Warne, MA ;
Griffiths, L .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1997, (01) :31-39
[18]   Proton chemical shifts in NMR. Part 12. Steric, electric field and conformational effects in acyclic and cyclic ethers [J].
Abraham, RJ ;
Warne, MA ;
Griffiths, L .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1998, (08) :1751-1757
[19]  
ABRAHAM RJ, 1991, J COMPUT AID MOL DES, V5, P21
[20]  
ABRAHAM RJ, 1985, MAGN RESON CHEM, V23, P863