An expression of unexpected simplicity is derived for the shift in optical transition energies of solute molecules in nonpolar solvents. The expression reveals a new spectroscopic rule that says: The higher the excited state of the solute, the larger the solvatochromic red shift. A puzzle formulated >50 years ago by Bayliss is solved. Bayliss, based on arguments from classical physics, assumed ...

We investigate the OH stretch vibrational frequency shifts of a prototype photoacid, 2-naphthol (2N), when dissolved in solvents of low polarity. We combine femtosecond mid-infrared spectroscopy and a theoretical model based on the Pullin-van der Zwan-Hynes perturbative approach to explore vibrational solvatochromic effects in the ground S(0) and the first electronically excited (1)L(b) states....

Nicotinonitrile chromophores with two tunable functions, excellent photophysical properties and solvatochromic behaviour can be prepared quickly and efficiently by microwave-assisted tandem oxidation/Bohlmann-Rahtz heteroannulation followed by copper(I)-mediated N-arylation.

A model is presented for the electrostatic component of solvatochromic shifts on vertical electronic excitation energies. The model, called vertical electrostatic model 42 (VEM42), is based on representing the solute by a set of distributed atomic monopoles obtained by charge model 2 (CM2) and representing the solvent by its static and optical dielectric constants. The theory is applied here wi...

This work reports on the solvatochromic properties of a simple heterocyclic betaine pyridinium, 2-(1-pyridinio)benzimidazolate (SBPa), having promising potentialities in non-linear optics. From advanced PCM-TDDFT calculations, the solvatochromism of SBPa was found to be unusual, involving two different electronic states for absorption (S(0)→ S(2)) and emission (S(1)→S'(0)). To account for this ...

The optical properties of the dmit ion (dmits4,5-dimercapto-1,3-dithiol-2-thiolate) have been characterized under a range of conditions. The oxidatively sensitive anion is highly solvatochromic: lmaxs504 (H2O), 514 (MeOH), 568 (MeCN), and 632 nm (DMF). With a shift in absorption maximum of 4000 cm (DMF versus H2O), dmit 2y is possibly the most solvatochromic species known. The dianion is monopr...

BACKGROUND  The use of solvatochromic dyes to investigate homeopathic potencies holds out the promise of understanding the nature of serially succussed and diluted solutions at a fundamental physicochemical level. Recent studies have shown that a range of different dyes interact with potencies and, moreover, the nature of the interaction is beginning to allow certain specific characteristics of...

INTRODUCTION Previous studies have demonstrated the potential of solvatochromic dyes for investigating the physical chemistry of homeopathic potencies. RESULTS Following examination of this class of dyes in organic solvents, results obtained using the positively solvatochromic dye Bis-dimethylaminofuchsone (BDF) in aqueous solution are now reported. Spectral changes observed with this dye in ...

Fluorescent pyrimidine analogs containing a fused biphenyl unit were prepared in high yields using stereoselective N-glycosylation and Suzuki-Miyaura cross-coupling reactions. The resulting "push-pull" fluorophores exhibit highly solvatochromic emissions from twisted intramolecular charge-transfer (TICT) states.