Calculation of carbon-14, chlorine-37, and deuterium kinetic isotope effects in the solvolysis of tert-butyl chloride

Graham W. Burton; Leslie B. Sims; Joe C. Wilson; Arthur Fry

doi:10.1021/ja00452a031

Calculation of carbon-14, chlorine-37, and deuterium kinetic isotope effects in the solvolysis of tert-butyl chloride

Journal of the American Chemical Society ◽

10.1021/ja00452a031 ◽

1977 ◽

Vol 99 (10) ◽

pp. 3371-3379 ◽

Cited By ~ 34

Author(s):

Graham W. Burton ◽

Leslie B. Sims ◽

Joe C. Wilson ◽

Arthur Fry

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Butyl Chloride ◽

Tert Butyl ◽

Carbon 14 ◽

Kinetic Isotope ◽

Tert Butyl Chloride

ChemInform Abstract: CALCULATION OF CARBON-14, CHLORINE-37, AND DEUTERIUM KINETIC ISOTOPE EFFECTS IN THE SOLVOLYSIS OF TERT-BUTYL CHLORIDE

Chemischer Informationsdienst ◽

10.1002/chin.197732104 ◽

1977 ◽

Vol 8 (32) ◽

pp. no-no

Author(s):

G. W. BURTON ◽

L. B. SIMS ◽

J. C. WILSON ◽

A. FRY

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Butyl Chloride ◽

Tert Butyl ◽

Carbon 14 ◽

Kinetic Isotope ◽

Tert Butyl Chloride

Chlorine kinetic isotope effect models. II. Vibrational analysis and KIE [kinetic isotope effects] calculations of tert-butyl chloride transition state models

Journal of the American Chemical Society ◽

10.1021/ja00819a001 ◽

1974 ◽

Vol 96 (12) ◽

pp. 3721-3727 ◽

Cited By ~ 6

Author(s):

Robert C. Williams ◽

James W. Taylor

Keyword(s):

Transition State ◽

Isotope Effect ◽

Kinetic Isotope Effect ◽

Isotope Effects ◽

Vibrational Analysis ◽

Kinetic Isotope Effects ◽

Butyl Chloride ◽

Kinetic Isotope ◽

State Models ◽

Tert Butyl Chloride

ChemInform Abstract: CARBON-14 KINETIC ISOTOPE EFFECTS AND KINETIC STUDIES IN THE SYN-ELIMINATION REACTIONS OF (2-PHENYLETHYL)DIMETHYLAMINE OXIDES

Chemischer Informationsdienst ◽

10.1002/chin.198336111 ◽

1983 ◽

Vol 14 (36) ◽

Author(s):

D. R. WRIGHT ◽

L. B. SIMS ◽

A. FRY

Keyword(s):

Isotope Effects ◽

Kinetic Studies ◽

Kinetic Isotope Effects ◽

Carbon 14 ◽

Kinetic Isotope ◽

Elimination Reactions

ChemInform Abstract: TEMPERATURE DEPENDENCE OF BROMINE KINETIC ISOTOPE EFFECTS FOR REACTIONS OF N-BUTYL AND TERT-BUTYL BROMIDES

Chemischer Informationsdienst ◽

10.1002/chin.198028113 ◽

1980 ◽

Vol 11 (28) ◽

Author(s):

J. F. WILLEY ◽

J. W. TAYLOR

Keyword(s):

Temperature Dependence ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Tert Butyl ◽

Kinetic Isotope

Chlorine kinetic isotope effect models. I. Isotopic dependence in nominal carbon-chlorine stretching vibrations of aliphatic chlorides and vibrational analysis of the tert-butyl chloride ground state

Journal of the American Chemical Society ◽

10.1021/ja00787a002 ◽

1973 ◽

Vol 95 (6) ◽

pp. 1710-1714 ◽

Cited By ~ 7

Author(s):

Robert C. Williams ◽

James W. Taylor

Keyword(s):

Isotope Effect ◽

Ground State ◽

Kinetic Isotope Effect ◽

Vibrational Analysis ◽

Butyl Chloride ◽

Tert Butyl ◽

Kinetic Isotope ◽

Stretching Vibrations ◽

Isotopic Dependence ◽

Tert Butyl Chloride

SOME DEUTERIUM KINETIC ISOTOPE EFFECTS: IV. β-DEUTERIUM EFFECTS IN WATER SOLVOLYSIS OF ETHYL, ISOPROPYL, AND tert-BUTYL COMPOUNDS

Canadian Journal of Chemistry ◽

10.1139/v60-294 ◽

1960 ◽

Vol 38 (11) ◽

pp. 2171-2177 ◽

Cited By ~ 6

Author(s):

K. T. Leffek ◽

J. A. Llewellyn ◽

R. E. Robertson

Keyword(s):

Isotope Effect ◽

Kinetic Isotope Effect ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Alkyl Halides ◽

Tert Butyl ◽

Kinetic Isotope ◽

Deuterium Isotope Effects ◽

Intramolecular Forces

The secondary β-deuterium isotope effects have been measured in the water solvolytic reaction of alkyl halides and sulphonates for primary, secondary, and tertiary species. In every case the kinetic isotope effect was greater than unity (kH/kD > 1). This isotope effect may be associated with varying degrees of hyperconjugation or altered non-bonding intramolecular forces. The experiments make it difficult to decide which effect is most important.

ChemInform Abstract: CHLORINE KINETIC ISOTOPE EFFECT MODELS PART 2, VIBRATIONAL ANALYSIS AND KIE CALCULATIONS OF TERT.-BUTYL CHLORIDE TRANSITION STATE MODELS

Chemischer Informationsdienst ◽

10.1002/chin.197433132 ◽

1974 ◽

Vol 5 (33) ◽

Author(s):

ROBERT C. WILLIAMS ◽

JAMES W. TAYLOR

Keyword(s):

Transition State ◽

Isotope Effect ◽

Kinetic Isotope Effect ◽

Vibrational Analysis ◽

Butyl Chloride ◽

Tert Butyl ◽

Kinetic Isotope ◽

State Models ◽

Tert Butyl Chloride

Kinetic isotope effects of nitrogen and hydrogen in reaction of N-tert-butyl-P-phenylphosphonamidothioic acid with alcohols

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2004.09.025 ◽

2005 ◽

Vol 690 (10) ◽

pp. 2553-2558

Author(s):

Stefan Jankowski ◽

Adam Mazur ◽

Tomasz Nonas ◽

Barbara Vokal

Keyword(s):

Isotope Effects ◽

Kinetic Isotope Effects ◽

Tert Butyl ◽

Kinetic Isotope

Carbon-14 Kinetic Isotope Effects. IV. The Effect of Activation Energy on Some Carbon-14 Kinetic Isotope Effects1,2

Journal of the American Chemical Society ◽

10.1021/ja01549a048 ◽

1958 ◽

Vol 80 (16) ◽

pp. 4308-4311 ◽

Cited By ~ 11

Author(s):

Gabriel J. Buist ◽

Myron L. Bender

Keyword(s):

Activation Energy ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Carbon 14 ◽

Kinetic Isotope

ChemInform Abstract: HIGH TEMPERATURE COLLISIONAL ENERGY TRANSFER IN HIGHLY VIBRATIONALLY EXCITED MOLECULES: ISOTOPE EFFECTS IN TERT-BUTYL CHLORIDE SYSTEMS

Chemischer Informationsdienst ◽

10.1002/chin.198508104 ◽

1985 ◽

Vol 16 (8) ◽

Author(s):

T. C. BROWN ◽

K. D. KING ◽

R. G. GILBERT

Keyword(s):

Energy Transfer ◽

High Temperature ◽

Isotope Effects ◽

Butyl Chloride ◽

Vibrationally Excited ◽

Tert Butyl ◽

Collisional Energy ◽

Excited Molecules ◽

Collisional Energy Transfer ◽

Tert Butyl Chloride