Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Predicting the Right Mechanism for Hypervalent Iodine Reagents by
  Applying Two Types of Hypervalent Twist Models: Apical Twist and Equatorial
  Twist   Since the hypervalent twist followed by reductive elimination is a general
reaction pattern for hypervalent iodine reagents, mechanistic studies about the
hypervalent twist step provide significant guidance for experiments. Our
previous work showed there are two types of hypervalent twist models, i.e.
apical twist and equatorial twist. We applied both hypervalent twist models to
explain the isomerization mechanism of two important electrophilic
trifluoromethylating reagents, Togni I and Togni II. To the best of our
knowledge, there are less detailed studies about the different twist modes
between both reagents, which are important to predict the right reaction
mechanism and especially, understand well the differences of reactivity and
stability. Here, we successfully identified Togni II's isomerization pathway
via equatorial twist, and suggested different hypervalent twist models should
be considered to predict the right mechanisms of reactions with hypervalent
iodine reagents.

1
The categories of this paper are: cs
22
The categories of this paper are: chao-dyn
21
The categories of this paper are: adap-org
17
The categories of this paper are: q-fin
7
The categories of this paper are: hep-th
11
The categories of this paper are: hep-lat
8
The categories of this paper are: hep-ex
35
The categories of this paper are: mtrl-th
19
The categories of this paper are: eess
24
The categories of this paper are: dg-ga
20
The categories of this paper are: acc-phys
29
The categories of this paper are: funct-an
32
The categories of this paper are: atom-ph
12
The categories of this paper are: nucl-th
31
The categories of this paper are: ao-sci
36
The categories of this paper are: cmp-lg