Lowest Electronically Excited Triplet States of 1,2,4,5-Tetracyanobenzene and Tetracyanopyrazine by Matrix-Isolation Infrared Spectroscopy Combined with a Density-Functional-Theory Calculation

Nobuyuki Akai; Isamu Miura; Satoshi Kudoh; Kiyotaka Shigehara; Munetaka Nakata

doi:10.1246/bcsj.76.1927

Lowest Electronically Excited Triplet States of 1,2,4,5-Tetracyanobenzene and Tetracyanopyrazine by Matrix-Isolation Infrared Spectroscopy Combined with a Density-Functional-Theory Calculation

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.76.1927 ◽

2003 ◽

Vol 76 (10) ◽

pp. 1927-1933 ◽

Cited By ~ 11

Author(s):

Nobuyuki Akai ◽

Isamu Miura ◽

Satoshi Kudoh ◽

Kiyotaka Shigehara ◽

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Triplet States ◽

Functional Theory ◽

Excited Triplet ◽

Electronically Excited ◽

Theory Calculation ◽

Excited Triplet States

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Lowest excited triplet states of 1,2- and 1,4-dicyanobenzenes by low-temperature matrix-isolation infrared spectroscopy and density-functional-theory calculation

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00329-4 ◽

2003 ◽

Vol 371 (5-6) ◽

pp. 655-661 ◽

Cited By ~ 15

Author(s):

Nobuyuki Akai ◽

Satoshi Kudoh ◽

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Triplet States ◽

Functional Theory ◽

Excited Triplet ◽

Temperature Matrix ◽

Theory Calculation ◽

Excited Triplet States

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Conformations of nitro-substituted spiropyran and merocyanine studied by low-temperature matrix-isolation infrared spectroscopy and density-functional-theory calculation

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00136-2 ◽

2003 ◽

Vol 370 (3-4) ◽

pp. 460-468 ◽

Cited By ~ 58

Author(s):

Yoshisuke Futami ◽

Maisy Lim Siaw Chin ◽

Satoshi Kudoh ◽

Masao Takayanagi ◽

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Low Temperature ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Matrix Isolation ◽

Functional Theory ◽

Temperature Matrix ◽

Theory Calculation

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Mechanism of UV-Induced Conformational Changes among Enol-Type Isomers of (Trifluoroacetyl)acetone Studied by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density Functional Theory Calculation

The Journal of Physical Chemistry A ◽

10.1021/jp031192y ◽

2004 ◽

Vol 108 (12) ◽

pp. 2353-2362 ◽

Cited By ~ 15

Author(s):

Yukiko Minoura ◽

Naoko Nagashima ◽

Satoshi Kudoh ◽

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Low Temperature ◽

Conformational Changes ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Matrix Isolation ◽

Functional Theory ◽

Temperature Matrix ◽

Theory Calculation

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Structures of CH3F⋯CH3F and CH3F⋯H2O complexes in a supersonic jet studied by matrix-isolation infrared spectroscopy and density-functional-theory calculation

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00518-3 ◽

2002 ◽

Vol 357 (3-4) ◽

pp. 209-216 ◽

Cited By ~ 30

Author(s):

Yoshisuke Futami ◽

Satoshi Kudoh ◽

Masao Takayanagi ◽

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Matrix Isolation ◽

Supersonic Jet ◽

Functional Theory ◽

Theory Calculation

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N 2 O clusters in a supersonic jet studied by matrix-isolation infrared spectroscopy and density functional theory calculation

Journal of Molecular Structure ◽

10.1016/s0022-2860(99)00316-6 ◽

2000 ◽

Vol 524 (1-3) ◽

pp. 61-68 ◽

Cited By ~ 25

Author(s):

S. Kudoh ◽

K. Onoda ◽

M. Takayanagi ◽

M. Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Matrix Isolation ◽

Supersonic Jet ◽

Functional Theory ◽

Theory Calculation

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Photoreaction mechanisms of 2-bromophenols studied by low-temperature matrix-isolation infrared spectroscopy and density-functional-theory calculation

Chemical Physics Letters ◽

10.1016/s0009-2614(02)01294-0 ◽

2002 ◽

Vol 363 (5-6) ◽

pp. 591-597 ◽

Cited By ~ 18

Author(s):

Nobuyuki Akai ◽

Satoshi Kudoh ◽

Masao Takayanagi ◽

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Low Temperature ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Matrix Isolation ◽

Functional Theory ◽

Temperature Matrix ◽

Theory Calculation

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Dynamics of Intramolecular Hydrogen-Atom Migrations in 2-Hydroxy-3-nitropyridine Studied by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density Functional Theory Calculation

The Journal of Physical Chemistry A ◽

10.1021/jp0726687 ◽

2007 ◽

Vol 111 (28) ◽

pp. 6256-6262 ◽

Cited By ~ 7

Author(s):

Maki Nagaya ◽

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Hydrogen Atom ◽

Low Temperature ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Temperature Matrix ◽

Intramolecular Hydrogen ◽

Theory Calculation

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UV-Induced Photoisomerization of Acetylacetone and Identification of Less-Stable Isomers by Low-Temperature Matrix-Isolation Infrared Spectroscopy and Density Functional Theory Calculation

The Journal of Physical Chemistry A ◽

10.1021/jp012557m ◽

2001 ◽

Vol 105 (48) ◽

pp. 10832-10838 ◽

Cited By ~ 36

Author(s):

Naoko Nagashima ◽

Satoshi Kudoh ◽

Masao Takayanagi ◽

Munetaka Nakata

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Low Temperature ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Matrix Isolation ◽

Functional Theory ◽

Temperature Matrix ◽

Theory Calculation

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Amide I Bands of Terminally Blocked Alanine in Solutions Investigated by Infrared Spectroscopy and Density Functional Theory Calculation: Hydrogen-Bonding Interactions and Solvent Effects

The Journal of Physical Chemistry B ◽

10.1021/jp810153w ◽

2009 ◽

Vol 113 (19) ◽

pp. 6894-6897 ◽

Cited By ~ 14

Author(s):

Maeng-Eun Lee ◽

So Yeong Lee ◽

Sang-Woo Joo ◽

Kwang-Hwi Cho

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Infrared Spectroscopy ◽

Solvent Effects ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Hydrogen Bonding Interactions ◽

Theory Calculation

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Conformational Change of Poly(N-isopropylacrylamide) during the Coil−Globule Transition Investigated by Attenuated Total Reflection/Infrared Spectroscopy and Density Functional Theory Calculation†

The Journal of Physical Chemistry A ◽

10.1021/jp0124903 ◽

2002 ◽

Vol 106 (14) ◽

pp. 3429-3435 ◽

Cited By ~ 153

Author(s):

Yukiteru Katsumoto ◽

Takeyuki Tanaka ◽

Harumi Sato ◽

Yukihiro Ozaki

Keyword(s):

Density Functional Theory ◽

Infrared Spectroscopy ◽

Conformational Change ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Total Reflection ◽

Attenuated Total Reflection ◽

Functional Theory ◽

Theory Calculation

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