Ab initio study of geometries and force fields of diphenylacetylene in the ground state, radical cation, radical anion, and lowest excited triplet state

Atsuhiko Shimojima; Hiroaki Takahashi

doi:10.1021/j100138a007

Ab initio study of geometries and force fields of diphenylacetylene in the ground state, radical cation, radical anion, and lowest excited triplet state

The Journal of Physical Chemistry ◽

10.1021/j100138a007 ◽

1993 ◽

Vol 97 (36) ◽

pp. 9103-9112 ◽

Cited By ~ 21

Author(s):

Atsuhiko Shimojima ◽

Hiroaki Takahashi

Keyword(s):

Triplet State ◽

Ab Initio ◽

Radical Cation ◽

Ground State ◽

Radical Anion ◽

Force Fields ◽

Cation Radical ◽

Excited Triplet State ◽

Ab Initio Study ◽

Excited Triplet

Download Full-text

ChemInform Abstract: Time-Resolved Resonance Raman Spectroscopy of Diphenylacetylene: Structures and Dynamics of the Lowest Excited Triplet State, Radical Cation, and Radical Anion.

ChemInform ◽

10.1002/chin.199307049 ◽

2010 ◽

Vol 24 (7) ◽

pp. no-no

Author(s):

H. HIURA ◽

H. TAKAHASHI

Keyword(s):

Raman Spectroscopy ◽

Triplet State ◽

Radical Cation ◽

Radical Anion ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Excited Triplet State ◽

Time Resolved ◽

Excited Triplet

Download Full-text

ChemInform Abstract: Structures and Dynamics of the Lowest Excited Triplet State, Radical Cation and Radical Anion of 1,4-Diphenylbutadiyne: Time-Resolved Resonance Raman Study.

ChemInform ◽

10.1002/chin.199411035 ◽

2010 ◽

Vol 25 (11) ◽

pp. no-no

Author(s):

H. YONEDA ◽

H. HIURA ◽

H. TAKAHASHI

Keyword(s):

Triplet State ◽

Radical Cation ◽

Radical Anion ◽

Resonance Raman ◽

Excited Triplet State ◽

Time Resolved ◽

Excited Triplet ◽

Raman Study

Download Full-text

Structures and dynamics of the lowest excited triplet state, radical cation and radical anion of 1,4-diphenylbutadiyne: time-resolved resonance Raman study

Journal of Molecular Structure ◽

10.1016/0022-2860(93)80230-s ◽

1993 ◽

Vol 301 ◽

pp. 47-56 ◽

Cited By ~ 7

Author(s):

Hiroyoshi Yoneda ◽

Hidefumi Hiura ◽

Hiroaki Takahashi

Keyword(s):

Triplet State ◽

Radical Cation ◽

Radical Anion ◽

Resonance Raman ◽

Excited Triplet State ◽

Time Resolved ◽

Excited Triplet ◽

Raman Study

Download Full-text

Time-resolved resonance Raman spectroscopy of diphenylacetylene: structures and dynamics of the lowest excited triplet state, radical cation, and radical anion

The Journal of Physical Chemistry ◽

10.1021/j100201a040 ◽

1992 ◽

Vol 96 (22) ◽

pp. 8909-8915 ◽

Cited By ~ 24

Author(s):

Hidefumi Hiura ◽

Hiroaki Takahashi

Keyword(s):

Raman Spectroscopy ◽

Triplet State ◽

Radical Cation ◽

Radical Anion ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Excited Triplet State ◽

Time Resolved ◽

Excited Triplet

Download Full-text

The GeH4+ radical cation. An ab initio study of its ground-state structure and kinetic stability

Chemical Physics Letters ◽

10.1016/0009-2614(88)87263-4 ◽

1988 ◽

Vol 148 (1) ◽

pp. 73-78 ◽

Cited By ~ 15

Author(s):

Takako Kudo ◽

Shigeru Nagase

Keyword(s):

Ab Initio ◽

Radical Cation ◽

Ground State ◽

Kinetic Stability ◽

Ground State Structure ◽

Ab Initio Study ◽

State Structure

Download Full-text

A Triphenylamine Double-Decker: From a Delocalized Radical Cation to a Diradical Dication with an Excited Triplet State

Angewandte Chemie International Edition ◽

10.1002/anie.201204106 ◽

2012 ◽

Vol 51 (37) ◽

pp. 9403-9406 ◽

Cited By ~ 34

Author(s):

Yuichiro Yokoyama ◽

Daisuke Sakamaki ◽

Akihiro Ito ◽

Kazuyoshi Tanaka ◽

Motoo Shiro

Keyword(s):

Triplet State ◽

Radical Cation ◽

Excited Triplet State ◽

Excited Triplet ◽

Double Decker

Download Full-text

Hetero-Wolff Rearrangement of an α-Sulfinyl Carbene: Thermally Activated Intersystem Crossing of the Lowest Excited Triplet State of a Ground-State Singlet Carbene

European Journal of Organic Chemistry ◽

10.1002/ejoc.201301603 ◽

2014 ◽

Vol 2014 (11) ◽

pp. 2297-2304 ◽

Cited By ~ 10

Author(s):

Orlagh C. M. O'Sullivan ◽

Stuart G. Collins ◽

Anita R. Maguire ◽

Götz Buche

Keyword(s):

Triplet State ◽

Ground State ◽

Excited Triplet State ◽

Intersystem Crossing ◽

Wolff Rearrangement ◽

Excited Triplet ◽

Thermally Activated

Download Full-text

Theoretical study of the geometrical and vibrational properties of aniline by different semiempirical and ab initio methods: The ground state, the T1 triplet state and the D+ radical cation

10.1063/1.47743 ◽

1995 ◽

Author(s):

M. Castellà-Ventura ◽

E. Kassab

Keyword(s):

Triplet State ◽

Ab Initio ◽

Radical Cation ◽

Ground State ◽

Theoretical Study ◽

Vibrational Properties ◽

Ab Initio Methods

Download Full-text

A Triphenylamine Double-Decker: From a Delocalized Radical Cation to a Diradical Dication with an Excited Triplet State

Angewandte Chemie ◽

10.1002/ange.201204106 ◽

2012 ◽

Vol 124 (37) ◽

pp. 9537-9540 ◽

Cited By ~ 11

Author(s):

Yuichiro Yokoyama ◽

Daisuke Sakamaki ◽

Akihiro Ito ◽

Kazuyoshi Tanaka ◽

Motoo Shiro

Keyword(s):

Triplet State ◽

Radical Cation ◽

Excited Triplet State ◽

Excited Triplet ◽

Double Decker

Download Full-text

AbinitioSCF MO calculations of the potential surfaces of thiocarbonyls. III. Ground state and first excited triplet state of thiourea, (NH2)2CS

The Journal of Chemical Physics ◽

10.1063/1.438409 ◽

1979 ◽

Vol 71 (2) ◽

pp. 588-592 ◽

Cited By ~ 10

Author(s):

A. Kapur ◽

R. P. Steer ◽

P. G. Mezey

Keyword(s):

Triplet State ◽

Ground State ◽

Excited Triplet State ◽

Mo Calculations ◽

Potential Surfaces ◽

Excited Triplet

Download Full-text