Gradient Line Reaction Path for an SN2 Reaction at Neutral Nitrogen

A theoretical study of the C3v reaction path of the H- + CH3Cl → CH4+Cl- SN2 reaction with the use of the GAUSSIAN 70 program reveals an earlier departure of the leaving group than in other ab initio studies of similar reactions involving poorer leaving groups, and predicts an intermediate planar structure that is highly ionic and which should be represented as a tight ion triplet, H-[CH3+]Cl-.

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Chemical reactions in solution: modelling of the delay of solvent synchronism (dielectric friction) along the reaction path of an SN2 reaction

Chemical Physics ◽

10.1016/0301-0104(93)80006-u ◽

1993 ◽

Vol 174 (3) ◽

pp. 397-407 ◽

Cited By ~ 17

Author(s):

M. Aguilar ◽

R. Bianco ◽

S. Miertus ◽

M. Persico ◽

J. Tomasi

Keyword(s):

Chemical Reactions ◽

Reaction Path ◽

Dielectric Friction ◽

Sn2 Reaction

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ChemInform Abstract: SYNTHESIS, PROPERTIES, AND CRYSTAL STRUCTURE OF SILYL NITRONATES (SILYL ESTERS OF ACI-NITROALKANES): TOWARDS THE SN2 REACTION PATH WITH RETENTION OF CONFIGURATION AT SILICON

Chemischer Informationsdienst ◽

10.1002/chin.198033077 ◽

1980 ◽

Vol 11 (33) ◽

Author(s):

E. W. COLVIN ◽

A. K. BECK ◽

B. BASTANI ◽

D. SEEBACH ◽

Y. KAI ◽

...

Keyword(s):

Crystal Structure ◽

Reaction Path ◽

Silyl Nitronates ◽

Sn2 Reaction ◽

Synthesis Properties

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Use of 2½ D imaging in analysis of NiTi martensite

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100110192 ◽

1978 ◽

Vol 36 (1) ◽

pp. 610-611

Author(s):

G. M. Michal

Keyword(s):

Memory Effect ◽

Monoclinic Phase ◽

Reaction Path ◽

Structural Characteristics ◽

Salient Feature ◽

Martensite Phase ◽

Orientation Relationships ◽

Low Symmetry ◽

Hydride Phases ◽

Unusual Shape

Several TEM investigations have attempted to correlate the structural characteristics to the unusual shape memory effect in NiTi, the consensus being the essence of the memory effect is ostensible manifest in the structure of NiTi transforming martensitic- ally from a B2 ordered lattice to a low temperature monoclinic phase. Commensurate with the low symmetry of the martensite phase, many variants may form from the B2 lattice explaining the very complex transformed microstructure. The microstructure may also be complicated by the enhanced formation of oxide or hydride phases and precipitation of intermetallic compounds by electron beam exposure. Variants are typically found in selfaccommodation groups with members of a group internally twinned and the twins themselves are often observed to be internally twinned. Often the most salient feature of a group of variants is their close clustering around a given orientation. Analysis of such orientation relationships may be a key to determining the nature of the reaction path that gives the transformation its apparently perfect reversibility.

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