First Hyperpolarizability Dispersion of the Octupolar Molecule Crystal Violet: Multiple Resonances and Vibrational and Solvation Effects

Jochen Campo; Anna Painelli; Francesca Terenziani; Tanguy Van Regemorter; David Beljonne; Etienne Goovaerts; Wim Wenseleers

doi:10.1021/ja105600t

Explicit versus Implicit Solvation Effects on the First Hyperpolarizability of an Organic Biphotochrome

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b00631 ◽

2015 ◽

Vol 119 (21) ◽

pp. 5496-5503 ◽

Cited By ~ 20

Author(s):

Jean Quertinmont ◽

Benoît Champagne ◽

Frédéric Castet ◽

Marcelo Hidalgo Cardenuto

Keyword(s):

First Hyperpolarizability ◽

Implicit Solvation ◽

Solvation Effects

Download Full-text

First Hyperpolarizability Dispersion of the Octupolar Molecule Crystal Violet

Latin America Optics and Photonics Conference ◽

10.1364/laop.2012.lt2a.2 ◽

2012 ◽

Author(s):

J. Campo ◽

A. Painelli ◽

F. Terenziani ◽

T. Van Regemorter ◽

D. Beljonne ◽

...

Keyword(s):

Crystal Violet ◽

First Hyperpolarizability

Download Full-text

On-Demand Guest Release from MOF-5 Sealed with Nitrophenylacetic Acid Photocapping Groups

10.26434/chemrxiv.8146103.v1 ◽

2019 ◽

Author(s):

Jingjing Yan ◽

Rick Homan ◽

Corrianna Boucher ◽

Prem N. Basa ◽

Katherine Fossum ◽

...

Keyword(s):

Acetic Acid ◽

Crystal Violet ◽

Dye Molecules ◽

Phenyl Acetic Acid ◽

On Demand ◽

Crystal Violet Dye ◽

Dye Diffusion ◽

Triphenylacetic Acid

Recently, we demonstrated that triphenylacetic acid could be used to seal dye molecules within MOF-5, but guest release required digestion of the framework by treatment with acid. We prepared the sterically bulky photocapping group [bis-(3-nitro-benzyl)-amino]-(3-nitro-phenyl)-acetic acid (PC1) can prevent Crystal violet dye diffusion from inside MOF-5 until removed by photolysis.

Download Full-text

On-Demand Guest Release from MOF-5 Sealed with Nitrophenylacetic Acid Photocapping Groups

10.26434/chemrxiv.8146103 ◽

2019 ◽

Author(s):

Jingjing Yan ◽

Rick Homan ◽

Corrianna Boucher ◽

Prem N. Basa ◽

Katherine Fossum ◽

...

Keyword(s):

Acetic Acid ◽

Crystal Violet ◽

Dye Molecules ◽

Phenyl Acetic Acid ◽

On Demand ◽

Crystal Violet Dye ◽

Dye Diffusion ◽

Triphenylacetic Acid

Recently, we demonstrated that triphenylacetic acid could be used to seal dye molecules within MOF-5, but guest release required digestion of the framework by treatment with acid. We prepared the sterically bulky photocapping group [bis-(3-nitro-benzyl)-amino]-(3-nitro-phenyl)-acetic acid (PC1) can prevent Crystal violet dye diffusion from inside MOF-5 until removed by photolysis.

Download Full-text

A KINETIC MODEL FOR THE CRYSTAL VIOLET MINERALIZATION IN WATER BY THE ELECTRO- FENTON PROCESS

Environmental Engineering and Management Journal ◽

10.30638/eemj.2008.002 ◽

2008 ◽

Vol 7 (1) ◽

pp. 9-12 ◽

Cited By ~ 4

Author(s):

Ilie Siminiceanu ◽

Carmen-Ionela Alexandru ◽

Eric Brillas

Keyword(s):

Kinetic Model ◽

Crystal Violet ◽

Fenton Process

Download Full-text

Ab initio Hartree-Fock Investigation of π-Conjugated Compounds Presenting Large βv/βe Ratio: Merocyanines

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19981295 ◽

1998 ◽

Vol 63 (9) ◽

pp. 1295-1308 ◽

Cited By ~ 19

Author(s):

Benoît Champagne ◽

Thierry Legrand ◽

Eric A. Perpete ◽

Olivier Quinet ◽

Jean-Marie André

Keyword(s):

Ab Initio ◽

First Hyperpolarizability ◽

Conjugated Molecules ◽

Hartree Fock ◽

Experimental Discovery ◽

Conjugated Compounds ◽

Molecular Frame

CHF/6-311G* calculations of the first electronic and vibrational hyperpolarizabilities reveal that merocyanines present a substantial βv/βe ratio under their quinonoid nonpolar form. It originates from a large vibrational first hyperpolarizability whereas its electronic counterpart is small for this class of push-pull π-conjugated molecules. The transition from the quinonoid to the aromatic configuration is accompanied by an increase of βe and a decrease of the βv/βe ratio as well as by a ≈ 180° rotation in the plane of the molecule of βe and βv with respect to the molecular frame. Our results support the recent experimental discovery that antiparallel aggregation of aromatic and quinonoid forms of merocyanine is energetically favoured and that their first hyperpolarizabilities, which combine constructively, present both electronic and non purely electronic origins.

Download Full-text