Coupled Reactions of Condensation and Charge Transfer. 1. Formation of Olefin Dimer Ions in Reactions with Ionized Aromatics. Gas-Phase Studies

1997 ◽  
Vol 119 (35) ◽  
pp. 8332-8341 ◽  
Author(s):  
Michael Meot-Ner (Mautne ◽  
Yezdi B. Pithawalla ◽  
Junling Gao ◽  
M. Samy El-Shall
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Coupled Reactions

Reactions in solution

2018 ◽  
Author(s):  
Dennis Sherwood ◽  
Paul Dalby
Keyword(s):  
Phase Equilibria ◽  
Gas Phase ◽  
First Principles ◽  
Unique Feature ◽  
Life Sciences ◽  
Equilibrium Mixture ◽  
Second Law ◽  
Ideal Solution ◽  
Coupled Reactions ◽  
Definition Of

Another key chapter, examining reactions in solution. Starting with the definition of an ideal solution, and then introducing Raoult’s law and Henry’s law, this chapter then draws on the results of Chapter 14 (gas phase equilibria) to derive the corresponding results for equilibria in an ideal solution. A unique feature of this chapter is the analysis of coupled reactions, once again using first principles to show how the coupling of an endergonic reaction to a suitable exergonic reaction results in an equilibrium mixture in which the products of the endergonic reaction are present in much higher quantity. This demonstrates how coupled reactions can cause entropy-reducing events to take place without breaking the Second Law, so setting the scene for the future chapters on applications of thermodynamics to the life sciences, especially chapter 24 on bioenergetics.

scholarly journals Tuning of Hyperpolarizability, One- and Two-Photon Absorption of D-A and D-A-A Type Intramolecular Charge Transfer Based Sensors

2019 ◽  
Author(s):  
Pralok K. Samanta ◽  
Md Mehboob Alam ◽  
Ramprasad Misra ◽  
Swapan K. Pati
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Density Functional ◽  
Intramolecular Charge Transfer ◽  
Photon Absorption ◽  
First Hyperpolarizability ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Nlo Response ◽  
Donor Acceptor

Solvents play an important role in shaping the intramolecular charge transfer (ICT) properties of π-conjugated molecules, which in turn can affect their one-photon absorption (OPA) and two-photon absorption (TPA) as well as the static (hyper)polarizabilities. Here, we study the effect of solvent and donor-acceptor arrangement on linear and nonlinear optical (NLO) response properties of two novel ICT-based fluorescent sensors, one consisting of hemicyanine and dimethylaniline as electron withdrawing and donating groups (molecule 1), respectively and its boron-dipyrromethene (BODIPY, molecule 2)-fused counterpart (molecule 3). Density functional theoretical (DFT) calculations using long-range corrected CAM-B3LYP and M06-2X functionals, suitable for studying properties of ICT molecules, are employed to calculate the desired properties. The dipole moment (µ) as well as the total first hyperpolarizability (β<sub>total</sub>) of the studied molecules in the gas phase is dominantly dictated by the component in the direction of charge transfer. The ratios of vector component of first hyperpolarizability (β<sub>vec</sub>) to β<sub>total</sub> also reveal unidirectional charge transfer process. The properties of the medium significantly affect the OPA, hyperpolarizability and TPA properties of the studied molecules. Time dependent DFT (TDDFT) calculations suggest interchanging between two lowest excited states of molecule 3 from the gas phase to salvation. The direction of charge polarization and dominant transitions among molecular orbitals involved in the OPA and TPA processes are studied. The results presented are expected to be useful in tuning the NLO response of many ICT-based chromophores, especially those with BODIPY acceptors.<br>

Photoinduced charge transfer in bichromophoric molecules in the gas phase

1994 ◽  
Vol 100 (10) ◽  
pp. 7068-7078 ◽  
Author(s):  
Niels A. van Dantzig ◽  
Hansen Shou ◽  
Joseph C. Alfano ◽  
Nien‐chu C. Yang ◽  
Donald H. Levy
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Photoinduced Charge Transfer ◽  
Bichromophoric Molecules ◽  
Photoinduced Charge

Gas Phase Charge-Transfer Complexes

1965 ◽  
Vol 69 (10) ◽  
pp. 3671-3672 ◽  
Author(s):  
M. Kroll ◽  
M. L. Ginter
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Charge Transfer Complexes

Charge‐Transfer Complexes in Gas Phase

1965 ◽  
Vol 43 (9) ◽  
pp. 3394-3395 ◽  
Author(s):  
J. Prochorow
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Charge Transfer Complexes

Microwave spectrum of a gas-phase charge-transfer complex

1975 ◽  
pp. 580 ◽  
Author(s):  
Anthony C. Legon ◽  
D. James Millen ◽  
Stephen C. Rogers
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Charge Transfer Complex ◽  
Microwave Spectrum

scholarly journals Substrate effects in the photoenhanced ozonation of pyrene

2011 ◽  
Vol 11 (3) ◽  
pp. 1243-1253 ◽  
Author(s):  
S. A. Styler ◽  
M.-E. Loiseaux ◽  
D. J. Donaldson
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Gas Phase ◽  
Ozone Concentration ◽  
Aqueous Interfaces ◽  
Substrate Effects ◽  
Environmental Surfaces ◽  
Laboratory Results ◽  
Reactive Surfaces ◽  
Kinetics Of

Abstract. We report the effects of actinic illumination on the heterogeneous ozonation kinetics of solid pyrene films and pyrene adsorbed at air-octanol and air-aqueous interfaces. Upon illumination, the ozonation of solid pyrene films and pyrene at the air-aqueous interface proceeds more quickly than in darkness; no such enhancement is observed for pyrene at the air-octanol interface. Under dark conditions, the reaction of pyrene at all three interfaces proceeds via a Langmuir-Hinshelwood-type surface mechanism. In the presence of light, Langmuir-Hinshelwood kinetics are observed for solid pyrene films but a linear dependence upon gas-phase ozone concentration is observed at the air-aqueous interface. We interpret these results as evidence of the importance of charge-transfer pathways for the ozonation of excited-state pyrene. The dramatically different behaviour of pyrene at the surface of these three simple reaction environments highlights the difficulties inherent in representing complex reactive surfaces in the laboratory, and suggests caution in extrapolating laboratory results to environmental surfaces.

Sign in / Sign up

Export Citation Format

Share Document