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1 igand efficiency (0.45-0.50 kcal/mol per non-hydrogen atom).
2 operties are expected to mirror those of the hydrogen atom.
3 a ligand efficiency of 0.34 kcal/mol per non-hydrogen atom.
4 the unavailability of a syn-periplanar beta-hydrogen atom.
5 the central B-B bond is bridged by a single hydrogen atom.
6 by taking into account the repulsion between hydrogen atoms.
7 cal conductance and the adsorption energy of hydrogen atoms.
8 magnets by engineering grain boundaries with hydrogen atoms.
9 g as both a photoreductant and the source of hydrogen atoms.
10 or of radical species and a chiral source of hydrogen atoms.
14 sp(3))-H halogenation sequence by sequential hydrogen atom abstraction (HAA) and radical capture.
15 -NH)(mu-N(3)) (5) formed from intermolecular hydrogen atom abstraction (HAA) of strong C-H bonds (BDE
16 ters that enables 1e(-) activation of O2 for hydrogen atom abstraction (HAA) of substrate C-H bonds a
17 d by coupling H(+) and e(-) transfers as net hydrogen atom abstraction (HAA) steps using the 2,4,6-tr
18 retro-Bergman ring opening predominates over hydrogen atom abstraction (k-1 > k2) for 6,7-diethynylqu
19 the thermodynamic unfavorability of both its hydrogen atom abstraction and oligomerization reactions
20 inglet oxygen scavenging, electron transfer, hydrogen atom abstraction and radical adduct formation.
22 s in ((iPr)PDI)Mo(NH3)2(eta(2)-C2H4) enabled hydrogen atom abstraction and synthesis of a terminal ni
24 Thus, replacement of C-H by C-D raises the hydrogen atom abstraction barriers and enables a regiose
25 graphy; and deuterium isotope effects on the hydrogen atom abstraction by the adenosyl radical were u
26 te hexahydrate is described as a convenient, hydrogen atom abstraction catalyst that can mediate fluo
28 udies reveal that catalysis proceeds through hydrogen atom abstraction followed by radical rebound, a
30 initial cleavage of H(2)O(2) and subsequent hydrogen atom abstraction from chitin by the copper-oxyl
31 ion of dG(N1-H)(.) via dG(N2-H)(.) following hydrogen atom abstraction from dG is unlikely to be a ma
32 uces vinyl radical intermediates that affect hydrogen atom abstraction from DNA, leading to the forma
33 xyl radicals, a species responsible for both hydrogen atom abstraction from the CH reagent and the se
35 eration of the purine radical resulting from hydrogen atom abstraction from the N6-amine of 2'-deoxya
37 a proton to DMDS, which is then followed by hydrogen atom abstraction from the protonated sulfur ato
38 xperimental/theoretical study suggested that hydrogen atom abstraction in TAA by DPPH was located on
40 lyze the origin of this unexpected selective hydrogen atom abstraction pathway and find that the alte
42 nism for the reaction that is initiated by a hydrogen atom abstraction reaction, which enables a keto
43 s generally proceeds through two consecutive hydrogen atom abstraction steps from two adjacent carbon
46 electivity switch from aliphatic to aldehyde hydrogen atom abstraction upon deuteration of the substr
47 pathway and find that the alternative C(3)-H hydrogen atom abstraction would be followed by a low-ene
50 e decomposition via intra- or intermolecular hydrogen-atom abstraction (HAA) from an imido aryl ortho
53 kinetic control, through sequential steps of hydrogen-atom abstraction and hydrogen-atom donation med
54 xquisitely selective tertiary amine-mediated hydrogen-atom abstraction at the N6-methyl group to form
55 ever, that are associated with variations in hydrogen-atom abstraction barrier heights and tunneling
56 s the origin of the reactivity preference of hydrogen-atom abstraction over nucleophilic addition.
61 er from TEMPOH, but is an intrinsically poor hydrogen atom abstractor (BDFE(OH) of 77.2 kcal/mol) bas
62 consistent with these observations involving hydrogen atom addition to the ipso position of the pheny
65 the photoinduced isomer the distance between hydrogen atom and carbon atom to which it migrates in th
66 a and an initial estimate of the energy of a hydrogen atom and of a carbon atom, along with the ab in
67 ple cubic like phosphorus layers capped with hydrogen atoms and layers of H2 molecules, are predicted
68 experiments show dramatic rate variations in hydrogen-atom and oxygen-atom transfer reactions, with f
69 tion can only be solved analytically for the hydrogen atom, and the numerically exact full configurat
70 allows the visualization of the positions of hydrogen atoms, and computation to characterize the cata
72 tertiary stereogenic centres containing one hydrogen atom are often set by enantioselective desymmet
73 ructure of H3 S, and suggest that the A site hydrogen atoms are most likely fluxional even at Tc .
75 ton scattering (e-p) and the spectroscopy of hydrogen atoms are the two methods traditionally used to
76 cron (Bt) catalyzes abstraction of the pro-S hydrogen atom, as evidenced by the transfer of deuterium
77 ly, when the nitrogen-atom substituent was a hydrogen atom, as in 2d, 4, and 6, the nitrogen atom was
78 stars, whereas secondary reactions involving hydrogen atom assisted isomerization of thermodynamicall
79 ,beta-unsaturated aldehyde, which contains a hydrogen atom at the gamma position, an amine-aldehyde-d
80 ydrogen atoms reveal that the segregation of hydrogen atoms at the grain boundaries, rather than the
84 tertiary stereogenic centres containing one hydrogen atom, but they possess distinct charge distribu
85 deuterium, while replacing the transferring hydrogen atom by a methyl group makes the substrate inac
86 fect for the replacement of the transferring hydrogen atom by deuterium, while replacing the transfer
87 s observed upon substituting the transferred hydrogen atoms by deuterium, indicating that the process
88 Moreover, the scattering potential from many hydrogen atoms can be visualized in difference maps, all
91 weakly bound states on the palladium at high hydrogen atom coverages which are nearly isoenergetic wi
92 olate along the Cl-Os-CPh axis of 2 with the hydrogen atom directed to the alkylidyne leads to alkyny
93 along the X-Os-CPh axis of 2 and 5 with the hydrogen atom directed to the halide gives the alkynyl-t
95 ve hydrogen atom transfer (cHAT), where each hydrogen atom donated to the alkene arrives from a diffe
96 h pyrylium oxygen, while 3-OH group improved hydrogen atom donation because of the stabilization by a
98 ntial steps of hydrogen-atom abstraction and hydrogen-atom donation mediated by two distinct catalyst
99 O)n shows that this reagent is a very strong hydrogen atom donor as well as an outer-sphere reductant
100 that tris(trimethylsilyl)silane is an ideal hydrogen atom donor enabling highly effective photoredox
101 ble-light-absorbing reagent and electron and hydrogen atom donor to promote the desulfonylation react
102 photocatalyst is reductively quenched by the hydrogen atom donor, and returned in its original oxidat
103 he TEA radical cation serves as an effective hydrogen atom donor, confirmed by nuclear magnetic reson
106 f PhB( (t)BuIm)(3)Co(III)O with a variety of hydrogen atom donors demonstrates that the reactivity of
107 rdinate ((Ar) L)Fe(kappa(2) -N,O-AZADO) with hydrogen atom donors yields ferric hydroxide ((Ar) L)Fe(
108 et C(9)H(9) intermediate that dissociates by hydrogen atom emission via a tight transition state.
111 lytic mechanism begins with abstraction of a hydrogen atom from C-4 (or possibly C-3) initiating the
112 hus directing it to exclusively abstract the hydrogen atom from Fe-OH, thereby forming Cpd I, while p
113 radical, the enzyme guides the delivery of a hydrogen atom from flavin-a challenging feat for small-m
114 CdSe QD plays a key role by abstracting the hydrogen atom from the C-H bond of the alcohol (R(1) CH(
116 ntal step(s) of initial transfer of a formal hydrogen atom from the SmI2-water reagent system to prod
117 ions, we find that the oxidant abstracts the hydrogen atom from the strong C(2)-H bond rather than th
118 -oxyl radical, which efficiently abstracts a hydrogen atom from the substrates, regenerating the medi
119 ions competitively replace two of the three hydrogen atoms from cyanuric acid resulting in the trans
120 id alteration, the mere removal of a pair of hydrogen atoms from juxtaposed cysteine residues, contra
121 fler-Freytag reaction-amidyl radicals remove hydrogen atoms from unactivated aliphatic C-H bonds.
123 d that the reaction takes place by concerted hydrogen atom (H(*)) transfer that couples to an electro
125 aving either n-octyl groups (octyl-tpPDI) or hydrogen atoms (H-tpPDI) attached to its imide nitrogen
127 Here we demonstrate how the position of a hydrogen atom in the catalytic triad of an aminoglycosid
128 envisioned for precision spectroscopy of the hydrogen atom in the ultraviolet, optical frequency comb
130 ce for substrates that have the transferring hydrogen atoms in close proximity, such as ortho-tetrach
132 us atoms in the equatorial positions and two hydrogen atoms in the axial positions (I4/mmm and 2FU-C2
134 electrons can be transferred to the adsorbed hydrogen atoms in the catalytic process more efficiently
135 the distribution and dynamical transport of hydrogen atoms in the terrestrial atmosphere have long-s
138 es the smallest substituent on the alkene (a hydrogen atom) in the most sterically hindered position.
140 earned about reaction dynamics involving one hydrogen atom, less is known about those processes where
141 ty contrasts with the typical description of hydrogen atom-like states (S, P, etc.) in the conduction
142 ls to basic heteroarenes, followed by formal hydrogen atom loss, have become widely known as Minisci-
143 ihydrogen dissociation on palladium islands, hydrogen atoms migrate from palladium to silver, to whic
147 shown here to demonstrate that the 6'-pro-R-hydrogen atom of GenX2 is stereoselectively abstracted b
148 ic CH-pai interactions between the porphyrin hydrogen atoms of the helicate and an aromatic pendant g
151 -adamantyl)-o-alkyl-acetophenones with gamma-hydrogen atoms on both the adamantyl and ortho aromatic
153 Compound I can either (i) abstract an O-H hydrogen atom or (ii) be attacked by a nucleophilic hydr
154 ters investigated reveals the preference for hydrogen atom or proton abstraction in photoreactions an
158 ional theory calculations support up to 0.48 hydrogen atoms per formula unit of ([Formula: see text])
159 (pro), which allowed direct determination of hydrogen atom positions and, hence, protonation states i
160 uctures (0.9 A resolution or better) and the hydrogen atom positions in these structures were determi
161 equivalents are generated from complementary hydrogen atom precursors, with each alkane requiring one
162 eory calculations, we have demonstrated that hydrogen atoms preferentially occupy substitutional posi
163 e chromium catalyst sequentially transfers a hydrogen atom, proton, and electron from molecular hydro
166 haracterization and atomic-scale tracking of hydrogen atoms reveal that the segregation of hydrogen a
167 ent protein family, showed a distribution of hydrogen atoms revealing protonation of the chromophore
168 mation and subsequent trapping with either a hydrogen atom source (PhSiH3 ) or an electron-deficient
169 orocarbinyl radical, reduction of which by a hydrogen atom source gives the alkyl chloride product.
170 lectron reductant, flavin semiquinone as the hydrogen atom source, and the enzyme as the source of ch
172 Here we report the existence of non-thermal hydrogen atoms that are much hotter than the ambient oxy
173 ydroxide minerals often possess out-of-plane hydrogen atoms that form hydrogen bonding networks which
174 sts to promote the transfer of electrons and hydrogen atoms, this system performs direct hydroarylati
176 ch are initiated by the formal addition of a hydrogen atom to a C[double bond, length as m-dash]C dou
177 tercepted by abundant alkene feedstocks or a hydrogen atom to provide a diverse array of difluoalkyla
179 rogenation is that the active metal supplies hydrogen atoms to the host metal, where selective hydrog
181 nded water OH groups are pointing with their hydrogen atom toward local hydrophobic sites consisting
182 en to hydrogen bond distance positioning the hydrogen atom towards the flavin N5 reactive center.
183 y 150, associated with an intramolecular 1,5-hydrogen atom transfer (1,5-HAT) in the decay of a PEGyl
184 sition of the radical via intramolecular 1,5-hydrogen atom transfer (1,5-HAT) that was observed in it
185 proach to radical hydrogenation: cooperative hydrogen atom transfer (cHAT), where each hydrogen atom
186 ates selective C-H functionalization via 1,5-hydrogen atom transfer (HAT) and enables net incorporati
187 rough the combination of photoredox-mediated hydrogen atom transfer (HAT) and nickel catalysis, we ha
189 We report a combined photocatalytic and hydrogen atom transfer (HAT) approach for the light-medi
191 ocatalyst in combination with azide ion as a hydrogen atom transfer (HAT) catalyst, provides a direct
193 prise, the mechanism suggests intermolecular hydrogen atom transfer (HAT) chemistry is at play, rathe
194 quinolinium, and isoquinolinium salts under hydrogen atom transfer (HAT) conditions, and an expanded
195 l class of alkene coupling reactions involve hydrogen atom transfer (HAT) from a metal-hydride specie
197 onstration of the oxidizing ability of S via hydrogen atom transfer (HAT) from TEMPO-H (2,2,6,6-tetra
198 The reaction is proposed to operate via hydrogen atom transfer (HAT) from the substrate to the p
199 ing scission experiments are consistent with hydrogen atom transfer (HAT) generation of a carbon-cent
200 romising new approach that utilizes computed hydrogen atom transfer (HAT) Gibbs free energy instead o
204 the photoinduced electron transfer (ET) and hydrogen atom transfer (HAT) pathways between an anti-tu
206 Positional selectivity is dictated by a 1,5-hydrogen atom transfer (HAT) reaction by a pendent amide
207 in regioselectivity has been observed in the hydrogen atom transfer (HAT) reactions from 4-alkyl-N,N-
211 e to both single electron transfer (SET) and hydrogen atom transfer (HAT) reactions, thus covering al
212 trast with the usual reactivity of TEMPOH by hydrogen atom transfer (HAT) to a single e(-)/H(+) accep
214 ses and also on new transformations, notably hydrogen atom transfer (HAT) triggered processes, which
215 g key steps: (i) beta C-H iodination via 1,5-hydrogen atom transfer (HAT), (ii) desaturation via I(2)
216 electron transfer (SET) processes, including hydrogen atom transfer (HAT), a Povarov-type reaction, a
217 ynamic and mechanistic investigations of the hydrogen atom transfer (HAT), radical adduct formation (
218 s rapidly with a panel of substrates via C-H hydrogen atom transfer (HAT), reducing 1 to [(PyPz)Fe(II
219 ediate 8 are detailed, enlisting late-stage, hydrogen atom transfer (HAT)-mediated free radical bond
221 ted reaction pathway support a metal hydride hydrogen atom transfer (MH-HAT) to generate a C-centered
223 we present a direct observation of a double hydrogen atom transfer (tautomerization) within a single
225 rategy, we herein report photoredox-mediated hydrogen atom transfer catalysis for the selective activ
226 ically distinct, metal-free borylation using hydrogen atom transfer catalysis(5), in which homolytic
228 ized triisopropylsilanethiol was used as the hydrogen atom transfer catalyst to afford a benzylic rad
230 The unique reactivity of amidyl radicals in hydrogen atom transfer enables decarboxylative xanthylat
231 ruthenium nitrenoid species initiates a 1,5-hydrogen atom transfer followed by an immediate radical
232 ments rule out the alternative hypothesis of hydrogen atom transfer from a redox-active beta-diketona
233 that benzoyl-CoA reduction is initiated by a hydrogen atom transfer from a W(IV) species with an aqua
234 ributed to a radical reaction triggered by a hydrogen atom transfer from MeCHD to quinones, or, in th
235 est that this reaction is made possible by a hydrogen atom transfer from water that generates a Pd-hy
237 ed that from the thermodynamic point of view hydrogen atom transfer is the preferred mechanism in the
238 ak, while stepwise carboxylate oxidation and hydrogen atom transfer likely predominate for stronger C
241 ctivity is controlled by the predominant 1,5-hydrogen atom transfer of an amidyl radical generated in
243 in we demonstrate that a photoredox-mediated hydrogen atom transfer protocol can efficiently and sele
244 2))(+) cleaves H(2) at 25 degrees C in a net hydrogen atom transfer reaction, producing the dihydroge
245 undant aliphatic carbon-hydrogen bonds using hydrogen atom transfer reactions in which the bond-disso
246 s cluster with alkenes results in oxygen and hydrogen atom transfer reactions to form alcohol- and ke
249 The transformation connects metal-mediated hydrogen atom transfer to alkenes and Minisci addition r
251 ination to form the photoproduct and reverse hydrogen atom transfer to regenerate the starting ketone
253 , as evidenced by an assay based on phenolic hydrogen atom transfer to the stable free radical DPPH.
254 hane, ethane, propane, and isobutane through hydrogen atom transfer using inexpensive decatungstate a
255 acoordinate borinic ester, which accelerates hydrogen atom transfer with the quinuclidine-derived rad
256 echanisms of the photoredox-nickel-HAT (HAT: hydrogen atom transfer) catalyzed arylation and alkylati
257 of the major antioxidative mechanisms: HAT (Hydrogen Atom Transfer), SPLET (Sequential Proton-Loss E
258 ansition-metal-catalyzed C-H activation, 1,n-hydrogen atom transfer, and transition-metal-catalyzed c
259 ive site can control the radical terminating hydrogen atom transfer, enabling the synthesis of enanti
260 ccompanied by a change in the mechanism from hydrogen atom transfer, M(2+)(d(n)) O(*-) -> M(2+)(d(n))
261 c hypothesis characterized by intramolecular hydrogen atom transfer, radical fluorination, and ultima
266 entually formed via a combination of thermal hydrogen-atom transfer (HAT) and proton-coupled electron
267 stingly, a divergence between intermolecular hydrogen-atom transfer (HAT) catalysis and intramolecula
268 catalytic processes-photoredox, enamine and hydrogen-atom transfer (HAT) catalysis-enables an enanti
270 ne is proposed to undergo enantiodetermining hydrogen-atom transfer (HAT) during the C-H amination ev
271 generally two types of reactions occur: (a) hydrogen-atom transfer (HAT) from a donor to the peroxyl
273 in these cases are characterized as either a hydrogen-atom transfer (HAT) or a concerted proton-coupl
274 rived nitrogen-centered radicals mediate 1,6-hydrogen-atom transfer (HAT) processes to guide gamma-C(
275 s is presumably initiated by metal-catalyzed hydrogen-atom transfer (MHAT) to 1,1-disubstituted or mo
276 canonical radical reactions-cobalt-mediated hydrogen-atom transfer and copper-promoted radical cyana
278 substrate complex triggers an intramolecular hydrogen-atom transfer followed by a highly stereocontro
279 d N-terminal amino group in combination with hydrogen-atom transfer from the Calpha positions of the
280 tep in the reaction cycle and is followed by hydrogen-atom transfer from the CE1-H group of trimethyl
281 ntributions in C-C bond formation reactions, hydrogen-atom transfer from water to radicals, and isome
284 sequence of favorable electron, proton, and hydrogen-atom transfer steps that serve to break and ref
285 wed by 1) PMe3 attack on the nitride, 2) net hydrogen-atom transfer to form N-H bonds, or 3) C-H amin
286 Cl to concerted-proton/electron transfer (or hydrogen-atom transfer) for X = OMe, NMe(2) (data for X
287 t-bound enone substrate, 2) facilitating the hydrogen-atom transfer, and 3) providing the asymmetric
292 ers both a rationale for the relatively high hydrogen-atom-transfer reactivity of [Mn(IV)(O)(N4py)](2
293 ne) to IrN 1 proceeds through two successive hydrogen atom transfers (HAT) to 2 equiv of phenoxyl tha
295 s is the first spectroscopic confirmation of hydrogen atom tunneling governing 1,2-H-shift reactions
297 cays to the lower-energy trans conformer via hydrogen-atom tunneling through the torsional barrier, w
298 eral distinctive geometrical arrangements of hydrogen atoms vis-a-vis the heavier donor and acceptor
299 g a model that explicitly represents all non-hydrogen atoms, we simulated more than 120 spontaneous t
300 (resolution </= 1.8 A) and the positions of hydrogen atoms were generated using a computational meth