ON THE MECHANISM OF PROTON-TRANSFER IN THE 2-HYDROXYPYRIDINE REVERSIBLE 2-PYRIDONE TAUTOMERIC EQUILIBRIUM

被引:46
作者
SCANLAN, MJ
HILLIER, IH
机构
关键词
D O I
10.1016/0009-2614(84)85138-6
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
引用
收藏
页码:330 / 332
页数:3
相关论文
共 16 条
[1]   ENERGIES AND ALKYLATIONS OF TAUTOMERIC HETEROCYCLIC-COMPOUNDS - OLD PROBLEMS NEW ANSWERS [J].
BEAK, P .
ACCOUNTS OF CHEMICAL RESEARCH, 1977, 10 (05) :186-192
[2]   STRUCTURE AND TUNNELING DYNAMICS OF MALONALDEHYDE - A THEORETICAL-STUDY [J].
BICERANO, J ;
SCHAEFER, HF ;
MILLER, WH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (09) :2550-2553
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[4]   EQUILIBRIUM AND ACTIVATION THERMODYNAMIC PARAMETERS OF THE TAUTOMERISM OF 6-METHOXY-2-PYRIDONE IN WATER [J].
CHEVRIER, M ;
GUILLEREZ, J ;
DUBOIS, JE .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1983, (07) :979-982
[5]  
Dupuis M., 1980, NRCC SOFTWARE CATALO, V1
[6]   RATE-CONTROLLING 2-PROTON TRANSFER COUPLED WITH HEAVY-ATOM MOTION IN THE 2-PYRIDINONE-CATALYZED MUTAROTATION OF TETRAMETHYLGLUCOSE - EXPERIMENTAL AND CALCULATED DEUTERIUM-ISOTOPE EFFECTS [J].
ENGDAHL, KA ;
BIVEHED, H ;
AHLBERG, P ;
SAUNDERS, WH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (14) :4767-4774
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[8]  
Kwiakowsky J. S., 1975, ADV HETEROCYCLIC CHE, V18, P199, DOI DOI 10.1016/S0065-2725(08)60131-2
[9]  
LLEDOS A, 1981, TETRAHEDRON LETT, P775
[10]  
LOWDIN PO, 1965, ADV QUANTUM CHEM, V2, P231