-
1
-
-
0035252802
-
Benzodithiazolyl radicals formed by thermolysis and photolysis of 1,3,2,4-benzodithiadiazines
-
I. V. Vlasyuk V. A. Bagryansky N. P. Gritsan Yu. N. Molin A. Yu. Makarov Yu. V. Gatilov V. V. Shcherbukhin A. V. Zibarev Benzodithiazolyl radicals formed by thermolysis and photolysis of 1,3,2,4-benzodithiadiazines Phys. Chem. Chem. Phys. 2001 3 409-415.
-
(2001)
Phys. Chem. Chem. Phys.
, vol.3
, pp. 409-415
-
-
Vlasyuk, I.V.1
Bagryansky, V.A.2
Gritsan, N.P.3
Molin, Y.N.4
Makarov, A.Y.5
Gatilov, Y.V.6
Shcherbukhin, V.V.7
Zibarev, A.V.8
-
2
-
-
84961982080
-
Intermediates of photolysis of 1,3,2,4-benzodithiadiazines studied by matrix isolation spectroscopy and quantum chemistry
-
N. P. Gritsan V. A. Bagryansky I. V. Vlasyuk Yu. N. Molin A. Yu. Makarov M. S. Platz A. V. Zibarev Intermediates of photolysis of 1,3,2,4-benzodithiadiazines studied by matrix isolation spectroscopy and quantum chemistry Russ. Chem. Bull. 2001 50 2064-2070.
-
(2001)
Russ. Chem. Bull.
, vol.50
, pp. 2064-2070
-
-
Gritsan, N.P.1
Bagryansky, V.A.2
Vlasyuk, I.V.3
Molin, Y.N.4
Makarov, A.Y.5
Platz, M.S.6
Zibarev, A.V.7
-
3
-
-
0033408044
-
Benzo-fused dithiazolyl radicals: From chemical curiosities to materials chemistry
-
J. M. Rawson G. D. McManus Benzo-fused dithiazolyl radicals: from chemical curiosities to materials chemistry Coord. Chem. Rev. 1999 189 135-168.
-
(1999)
Coord. Chem. Rev.
, vol.189
, pp. 135-168
-
-
Rawson, J.M.1
McManus, G.D.2
-
4
-
-
0141812214
-
Magnetic properties of thiazyl radicals
-
J. M. Rawson F. Palacio Magnetic properties of thiazyl radicals Struct. Bonding 2001 100 93-128.
-
(2001)
Struct. Bonding
, vol.100
, pp. 93-128
-
-
Rawson, J.M.1
Palacio, F.2
-
5
-
-
0038957503
-
Formation of stable 1,2,3-benzodithiazolyl radicals by thermolysis of 1,3,2,4-benzodithiadiazines
-
V. A. Bagryansky I. V. Vlasyuk Yu. V. Gatilov A. Yu. Makarov Yu. N. Molin V. V. Shcherbukhin A. V. Zibarev Formation of stable 1,2,3-benzodithiazolyl radicals by thermolysis of 1,3,2,4-benzodithiadiazines Mendeleev Commun. 2000 5-7.
-
(2000)
Mendeleev Commun.
, pp. 5-7
-
-
Bagryansky, V.A.1
Vlasyuk, I.V.2
Gatilov, Y.V.3
Makarov, A.Y.4
Molin, Y.N.5
Shcherbukhin, V.V.6
Zibarev, A.V.7
-
6
-
-
14844336882
-
Interaction of 1,2,3-benzodithiazolyls (Herz radicals) with dioxygen
-
A. Yu. Makarov S. N. Kim N. P. Gritsan I. Yu. Bagryanskaya Yu. V. Gatilov A. V. Zibarev Interaction of 1,2,3-benzodithiazolyls (Herz radicals) with dioxygen Mendeleev Commun. 2005 14-16.
-
(2005)
Mendeleev Commun.
, pp. 14-16
-
-
Makarov, A.Y.1
Kim, S.N.2
Gritsan, N.P.3
Bagryanskaya, I.Y.4
Gatilov, Y.V.5
Zibarev, A.V.6
-
9
-
-
0000189651
-
Density-functional thermochemistry: III. The role of exact exchange
-
A. D. Becke Density-functional thermochemistry: III. The role of exact exchange J. Chem. Phys. 1993 98 5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
10
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
C. Lee W. Yang R. G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Phys. Rev. B. 1988 37 785-789.
-
(1988)
Phys. Rev. B.
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
11
-
-
33748545144
-
Influence of polarization functions on MO hydrogenation energies
-
P. C. Hariharan J. A. Pople Influence of polarization functions on MO hydrogenation energies Theor. Chim. Acta 1973 28 213-217.
-
(1973)
Theor. Chim. Acta
, vol.28
, pp. 213-217
-
-
Hariharan, P.C.1
Pople, J.A.2
-
12
-
-
0000287603
-
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
-
M. E. Casida C. Jamorski K. C. Casida D. R. Salahub Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: characterization and correction of the time-dependent local density approximation ionization threshold J. Chem. Phys. 1998 108 4439-4445.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439-4445
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
13
-
-
0001888398
-
A time-dependent density functional theory study of the electronically excited states of formaldehyde, acetaldehyde and acetone
-
K. B. Wiberg R. E. Stratmann M. J. Frisch A time-dependent density functional theory study of the electronically excited states of formaldehyde, acetaldehyde and acetone Chem. Phys. Lett. 1998 297 60-64.
-
(1998)
Chem. Phys. Lett.
, vol.297
, pp. 60-64
-
-
Wiberg, K.B.1
Stratmann, R.E.2
Frisch, M.J.3
-
14
-
-
84881454506
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.9), Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
GAUSSIAN 98 (Revision A.9)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.G.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
15
-
-
0004860487
-
Chemistry of N-thiosulfinylanilines. I. Reactions of sterically hindered anilines with sulfur chlorides. Preparation of N-thiosulfinylanilines
-
Y. Inagaki R. Okazaki N. Inamoto Chemistry of N-thiosulfinylanilines. I. Reactions of sterically hindered anilines with sulfur chlorides. Preparation of N-thiosulfinylanilines Bull. Chem. Soc. Jpn. 1979 52 1998-2001.
-
(1979)
Bull. Chem. Soc. Jpn.
, vol.52
, pp. 1998-2001
-
-
Inagaki, Y.1
Okazaki, R.2
Inamoto, N.3
-
16
-
-
0000312238
-
1,2,3-Dithiazolyle, eine neue Klasse persistenter Radicale
-
R. Mayer G. Domschke S. Bleisch J. Fabian A. Bartl A. Stasko 1,2,3-Dithiazolyle, eine neue Klasse persistenter Radicale Collect. Czech. Chem. Commun. 1984 49 684-703.
-
(1984)
Collect. Czech. Chem. Commun.
, vol.49
, pp. 684-703
-
-
Mayer, R.1
Domschke, G.2
Bleisch, S.3
Fabian, J.4
Bartl, A.5
Stasko, A.6
-
17
-
-
33645498909
-
Ring Cleavage of a benzodithiazolium-chloride and X-ray structure analysis of 3,3′,5,5′-tetrakis-tert-butyl-2,2′-bissulfinylamino-1,1′-diphenyl-disulfide
-
H. W. Roesky K. L. Weber M. Noltemeyer G. M. Sheldrick Ring Cleavage of a benzodithiazolium-chloride and X-ray structure analysis of 3,3′,5,5′-tetrakis-tert-butyl-2,2′-bissulfinylamino-1,1′-diphenyl-disulfide Z. Naturforsch., B: Anorg. Chem. Org. Chem. 1984 39 163-166.
-
(1984)
Z. Naturforsch., B: Anorg. Chem. Org. Chem.
, vol.39
, pp. 163-166
-
-
Roesky, H.W.1
Weber, K.L.2
Noltemeyer, M.3
Sheldrick, G.M.4
-
18
-
-
0042345127
-
-
AN USSR, Moscow, in Russian
-
A. N. Terenin, Photochemistry of Dyes and Related Organic Compounds, AN USSR, Moscow, 1947, pp. 128–129, in Russian.
-
(1947)
Photochemistry of Dyes and Related Organic Compounds
, pp. 128-129
-
-
Terenin, A.N.1
-
19
-
-
0022550162
-
And Quintiliani, Interaction of thiyl free radicals with oxygen: Pulse radiolysis study
-
M. Tamba G. Simone and Quintiliani, Interaction of thiyl free radicals with oxygen: pulse radiolysis study J. Radiat. Biol. 1986 50 595-600.
-
(1986)
J. Radiat. Biol.
, vol.50
, pp. 595-600
-
-
Tamba, M.1
Simone, G.2
-
20
-
-
33751158782
-
Pulse radiolysis of 2-mercaptoethanol in oxygenated aqueus solution. Generation and reaction of the thiylperoxy radical
-
X. Zhang N. Zhang H.-P. Schuchmann C. von Sonntag Pulse radiolysis of 2-mercaptoethanol in oxygenated aqueus solution. Generation and reaction of the thiylperoxy radical J. Phys. Chem. 1994 98 6541-6547.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 6541-6547
-
-
Zhang, X.1
Zhang, N.2
Schuchmann, H.-P.3
von Sonntag, C.4
-
21
-
-
0028838824
-
Solution reactivity of thiyl radicals with molecular oxygen: Unsensitized photooxidatiom of dimethyldisulfide
-
E. Banchereau S. Lacombe J. Ollivier Solution reactivity of thiyl radicals with molecular oxygen: unsensitized photooxidatiom of dimethyldisulfide Tetrahedron Lett. 1995 36 8197-8200.
-
(1995)
Tetrahedron Lett.
, vol.36
, pp. 8197-8200
-
-
Banchereau, E.1
Lacombe, S.2
Ollivier, J.3
-
23
-
-
0035902814
-
Planar 1,3,2,4-benzodithiadiazine and its non-planar 5,6,7,8-tetrafluoro derivative: Gas-phase structures studied by electron diffraction and ab initio calculations
-
F. Blockhuys S. L. Hinchley A. Yu. Makarov Yu. V. Gatilov A. V. Zibarev J. D. Woollins D. W. H. Rankin Planar 1,3,2,4-benzodithiadiazine and its non-planar 5,6,7,8-tetrafluoro derivative: gas-phase structures studied by electron diffraction and ab initio calculations Chem.–Eur. J. 2001 7 3592-3602.
-
(2001)
Chem.–Eur. J.
, vol.7
, pp. 3592-3602
-
-
Blockhuys, F.1
Hinchley, S.L.2
Makarov, A.Y.3
Gatilov, Y.V.4
Zibarev, A.V.5
Woollins, J.D.6
Rankin, D.W.H.7
-
24
-
-
14544281492
-
Causes of nonplanarity in fluorinated 1,3,2,4-benzopdithiadiazines: Gas-phase electron diffraction, ab initio and DFT structures
-
A. R. Turner F. Blockhuys C. Van Alsenoy H. E. Robertson S. L. Hinchley A. V. Zibarev A. Yu. Makarov D. W. H. Rankin Causes of nonplanarity in fluorinated 1,3,2,4-benzopdithiadiazines: gas-phase electron diffraction, ab initio and DFT structures Eur. J. Inorg. Chem. 2005 572-581.
-
(2005)
Eur. J. Inorg. Chem.
, pp. 572-581
-
-
Turner, A.R.1
Blockhuys, F.2
Van Alsenoy, C.3
Robertson, H.E.4
Hinchley, S.L.5
Zibarev, A.V.6
Makarov, A.Y.7
Rankin, D.W.H.8
-
25
-
-
0035899752
-
Theoretical analysis of heteroaromatic thioaminyl radicals. Part 1: A comparison of ab initio and density functional methods in calculations of molecular geometry and isotropic hyperfine coupling constants
-
P. Kaszynski Theoretical analysis of heteroaromatic thioaminyl radicals. Part 1: A comparison of ab initio and density functional methods in calculations of molecular geometry and isotropic hyperfine coupling constants J. Phys. Chem. A 2001 105 7615-7625.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 7615-7625
-
-
Kaszynski, P.1
-
26
-
-
0035899756
-
Theoretical analysis of heteroaromatic thioaminyl radicals. Part 2: A comparison of ab initio and density functional methods in the description of the redox processes
-
P. Kaszynski Theoretical analysis of heteroaromatic thioaminyl radicals. Part 2: A comparison of ab initio and density functional methods in the description of the redox processes J. Phys. Chem. A 2001 105 7626-7633.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 7626-7633
-
-
Kaszynski, P.1
-
27
-
-
6344277082
-
Experimental and theoretical studies of fused-ring persistent [1,2,4]thiadiazinyl radicals
-
Zienkiewicz P. Kaszynski V. G. Young Experimental and theoretical studies of fused-ring persistent [1,2,4]thiadiazinyl radicals J. Org. Chem. 2004 69 7525-7536.
-
(2004)
J. Org. Chem.
, vol.69
, pp. 7525-7536
-
-
Zienkiewicz1
Kaszynski, P.2
Young, V.G.3
-
28
-
-
0030505549
-
A density functional theory study of hyperfine structures of neutral S, N-heterocycles
-
J. Gassmann J. Fabian A density functional theory study of hyperfine structures of neutral S, N-heterocycles Magn. Reson. Chem. 1996 34 913-920.
-
(1996)
Magn. Reson. Chem.
, vol.34
, pp. 913-920
-
-
Gassmann, J.1
Fabian, J.2
|