Electronic structure and spectra of (Cu2O)n–H2O complexes

Ioannis D. Petsalakis; Giannoula Theodorakopoulos; Jerry Whitten

doi:10.1039/c4cp04303k

Electronic structure and spectra of (Cu2O)n–H2O complexes

Physical Chemistry Chemical Physics ◽

10.1039/c4cp04303k ◽

2015 ◽

Vol 17 (1) ◽

pp. 428-433 ◽

Cited By ~ 3

Author(s):

Ioannis D. Petsalakis ◽

Giannoula Theodorakopoulos ◽

Jerry Whitten

Keyword(s):

Electronic Structure ◽

Charge Transfer ◽

Surface Structure ◽

Excited States ◽

Electronic Excited States ◽

Mesh Surface

(Cu2O)n clusters form nanobarrels with a square mesh surface structure. Low-lying charge-transfer electronic excited states of (Cu2O)n–H2O are determined.

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Molecular and electronic structure in the metal-to-ligand charge-transfer excited states of d6 transition-metal complexes in solution

Journal of the American Chemical Society ◽

10.1021/ja00324a017 ◽

1984 ◽

Vol 106 (12) ◽

pp. 3492-3500 ◽

Cited By ~ 121

Author(s):

Jonathan V. Caspar ◽

T. David Westmoreland ◽

George H. Allen ◽

Paul G. Bradley ◽

Thomas J. Meyer ◽

...

Keyword(s):

Electronic Structure ◽

Charge Transfer ◽

Transition Metal ◽

Metal Complexes ◽

Excited States ◽

Transition Metal Complexes ◽

Ligand Charge Transfer ◽

Molecular And Electronic Structure

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Low-Lying Electronic Excited States of Pentacene Oligomers: A Comparative Electronic Structure Study in the Context of Singlet Fission

Journal of Chemical Theory and Computation ◽

10.1021/ct500510k ◽

2014 ◽

Vol 11 (1) ◽

pp. 147-156 ◽

Cited By ~ 45

Author(s):

Pedro B. Coto ◽

Sahar Sharifzadeh ◽

Jeffrey B. Neaton ◽

Michael Thoss

Keyword(s):

Electronic Structure ◽

Excited States ◽

Structure Study ◽

Singlet Fission ◽

Electronic Excited States

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Electronic Structure, Photophysics, and Relaxation Dynamics of Charge Transfer Excited States in Boron−Nitrogen-Bridged Ferrocene-Donor Organic-Acceptor Compounds

The Journal of Physical Chemistry A ◽

10.1021/jp037044p ◽

2004 ◽

Vol 108 (16) ◽

pp. 3281-3291 ◽

Cited By ~ 15

Author(s):

M. D. Thomson ◽

M. Novosel ◽

H. G. Roskos ◽

T. Müller ◽

M. Scheibitz ◽

...

Keyword(s):

Electronic Structure ◽

Charge Transfer ◽

Excited States ◽

Relaxation Dynamics ◽

Organic Acceptor ◽

Boron Nitrogen

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Resonance Raman Examination of the Electronic Excited States of Glycylglycine and Other Dipeptides: Observation of a Carboxylate→Amide Charge Transfer Transition

Journal of the American Chemical Society ◽

10.1021/ja960421+ ◽

1996 ◽

Vol 118 (40) ◽

pp. 9705-9715 ◽

Cited By ~ 28

Author(s):

X. G. Chen ◽

Pusheng Li ◽

Janet S. W. Holtz ◽

Zhenhuan Chi ◽

Vasil Pajcini ◽

...

Keyword(s):

Charge Transfer ◽

Excited States ◽

Resonance Raman ◽

Charge Transfer Transition ◽

Electronic Excited States

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Semiclassical Wave Packet Dynamics with Electronic Structure Computed on the Fly: Application to Photophysics of Electronic Excited States in Condensed Phase

The Journal of Physical Chemistry A ◽

10.1021/jp991761v ◽

1999 ◽

Vol 103 (47) ◽

pp. 9469-9474 ◽

Cited By ~ 10

Author(s):

Alfredo E. Cárdenas ◽

Roman Krems ◽

Rob D. Coalson

Keyword(s):

Electronic Structure ◽

Wave Packet ◽

Excited States ◽

Condensed Phase ◽

Electronic Excited States ◽

Wave Packet Dynamics

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Electronic Excited States of the Intramolecular Exciplex and Charge-transfer Complex in (9,10-Dicyanoanthracene)(CH2)3-(Naphthalene)

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.47.1078 ◽

1974 ◽

Vol 47 (5) ◽

pp. 1078-1080 ◽

Cited By ~ 10

Author(s):

Michiya Itoh ◽

Tsutomu Mimura ◽

Toshihiko Okamoto

Keyword(s):

Charge Transfer ◽

Excited States ◽

Charge Transfer Complex ◽

Electronic Excited States

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UV Resonance Raman Investigation of the Conformations and Lowest Energy Allowed Electronic Excited States of Tri- and Tetraalanine: Charge Transfer Transitions

The Journal of Physical Chemistry B ◽

10.1021/jp100428n ◽

2010 ◽

Vol 114 (19) ◽

pp. 6661-6668 ◽

Cited By ~ 11

Author(s):

Bhavya Sharma ◽

Sanford A. Asher

Keyword(s):

Charge Transfer ◽

Excited States ◽

Resonance Raman ◽

Electronic Excited States ◽

Uv Resonance Raman ◽

Charge Transfer Transitions

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Molecular Orbital Theory of the Electronic Structure of Organic Compounds IV. A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-triplet Transitions of Dioxodiazacycloalkanes

Zeitschrift für Naturforschung A ◽

10.1515/zna-1982-0305 ◽

1982 ◽

Vol 37 (3) ◽

pp. 232-237

Author(s):

Horacio Grinberg ◽

Julio Marañon ◽

Oscar M. Sorarrain

Keyword(s):

Electronic Structure ◽

Charge Transfer ◽

Molecular Orbital ◽

Excited States ◽

Intramolecular Charge Transfer ◽

Electronic States ◽

Solvation Energy ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Large Molecules

Abstract The semiempirical molecular orbital CNDO/S-CI spectral parameterization has been used to elucidate the lower triplet electronic states of a series of dioxodiazacycloalkanes. The 1 3 B2(n0π*) and 1 3 A2 (n0π*) triplet spectroscopic states involve intramolecular charge transfer from the oxygen to the carbon atom of the carbonyl group, which is supported by electron density calculations of these excited states. The solvation energy was incorporated in the calculations.

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Electronic Structure in Pyridinium-Based Metal-to-Ligand Charge-Transfer Excited States by Step-Scan FTIR Time-Resolved Spectroscopy

The Journal of Physical Chemistry A ◽

10.1021/jp980225k ◽

1998 ◽

Vol 102 (18) ◽

pp. 3042-3047 ◽

Cited By ~ 14

Author(s):

Pingyun Chen ◽

Richard A. Palmer ◽

Thomas J. Meyer

Keyword(s):

Electronic Structure ◽

Charge Transfer ◽

Excited States ◽

Time Resolved ◽

Time Resolved Spectroscopy ◽

Ligand Charge Transfer

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The electronic structure and charge transfer excited states of the endohedral trimetallic nitride C80 (Ih) fullerenes–Zn-tetraphenyl porphyrin dyads

Physical Chemistry Chemical Physics ◽

10.1039/c4cp04583a ◽

2015 ◽

Vol 17 (8) ◽

pp. 5832-5839 ◽

Cited By ~ 13

Author(s):

Luis Basurto ◽

Fatemeh Amerikheirabadi ◽

Rajendra Zope ◽

Tunna Baruah

Keyword(s):

Electronic Structure ◽

Excited State ◽

Charge Transfer ◽

Excited States ◽

Tetraphenyl Porphyrin

Replacing C60 or C70 by an M3N@C80 (M = Sc, Y) in co-facial dyads with ZnTPP increases charge transfer excited state energies.

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