Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Modeling of Diode Forward Characteristics01:19

Modeling of Diode Forward Characteristics

1.2K
Understanding the behavior of diodes when forward-biased is a fundamental aspect of electronic circuit design and analysis. This analysis primarily utilizes two models: the exponential diode model and the constant-voltage-drop model. The exponential model comes into play when the source voltage exceeds 0.5 volts, pushing the diode current to rise exponentially above the saturation current. This relationship is graphically depicted in the current-voltage (I-V) curve, illustrating the diode's...
1.2K
Modeling of Diode Reverse Characteristics01:14

Modeling of Diode Reverse Characteristics

718
In electronic circuits, reverse-biased diode configurations are critical for regulating voltage levels. Zener diodes exploit the reverse breakdown phenomenon and exhibit a controlled breakdown at a specific Zener voltage (VZ). They are designed to maintain a constant voltage across their terminals and are commonly used for voltage regulation in circuits.
When a reverse voltage applied to a Zener diode exceeds its breakdown voltage, the diode enters the breakdown region. At this point, the...
718
Thermal and Photochemical Electrocyclic Reactions: Overview01:26

Thermal and Photochemical Electrocyclic Reactions: Overview

3.1K
Electrocyclic reactions are reversible reactions. They involve an intramolecular cyclization or ring-opening of a conjugated polyene. Shown below are two examples of electrocyclic reactions. In the first reaction, the formation of the cyclic product is favored. In contrast, in the second reaction, ring-opening is favored due to the high ring strain associated with cyclobutene formation.
3.1K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

31.2K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
31.2K
Thermal Electrocyclic Reactions: Stereochemistry01:17

Thermal Electrocyclic Reactions: Stereochemistry

2.6K
The stereochemistry of electrocyclic reactions is strongly influenced by the orbital symmetry of the polyene HOMO. Under thermal conditions, the reaction proceeds via the ground-state HOMO.
Selection Rules: Thermal Activation
Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
2.6K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Biology of primary breast cancer in older women beyond routine biomarkers.

Breast cancer (Tokyo, Japan)·2021
Same author

Correction to: KSR1 regulates BRCA1 degradation and inhibits breast cancer growth.

Oncogene·2021
Same author

Patterns of biomarker expression in patients treated with primary endocrine therapy - a unique insight using core needle biopsy tissue microarray.

Breast cancer research and treatment·2020
Same author

The OPTIMIZE patient- and family-centered, primary care-based deprescribing intervention for older adults with dementia or mild cognitive impairment and multiple chronic conditions: study protocol for a pragmatic cluster randomized controlled trial.

Trials·2020
Same author

The Use of Figurative Language to Describe Frailty in Older Adults.

The Journal of frailty & aging·2018
Same author

The significance of tumour microarchitectural features in breast cancer prognosis: a digital image analysis.

Breast cancer research : BCR·2018
Same journal

Grammatical evolution-based design of nucleotic analogs for SARS-CoV-2's replication-transcription complex.

Physical chemistry chemical physics : PCCP·2026
Same journal

Optical frequency comb Fourier transform spectroscopy of the CH<sub>2</sub><sup>79</sup>Br<sup>81</sup>Br, CH<sub>2</sub><sup>79</sup>Br<sub>2</sub>, and CH<sub>2</sub><sup>81</sup>Br<sub>2</sub> isotopologues in the 1180-1210 cm<sup>-1</sup> region.

Physical chemistry chemical physics : PCCP·2026
Same journal

First-principles modeling of polysilazane-derived SiCNH ceramics: insights into the organization of the free-carbon phase.

Physical chemistry chemical physics : PCCP·2026
Same journal

Determining the binding strength of phenolic anchoring groups on hydrated WO<sub>3</sub> surfaces.

Physical chemistry chemical physics : PCCP·2026
Same journal

Activation of methane by the tantalum trioxide anion, TaO<sub>3</sub><sup></sup>.

Physical chemistry chemical physics : PCCP·2026
Same journal

Temperature-dependent recombination dynamics in BH/ZnBr<sub>2</sub> Co-doped CsPbI<sub>3</sub> thin films.

Physical chemistry chemical physics : PCCP·2026
See all related articles

Related Experiment Video

Updated: Feb 26, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

6.0K

Modeling electrochromic poly-dioxythiophene-containing materials through TDDFT.

D L Wheeler1, L E Rainwater, A R Green

  • 1Department of Chemistry, Boston University, Boston, MS 02215, USA.

Physical Chemistry Chemical Physics : PCCP
|July 21, 2017
PubMed
Summary
This summary is machine-generated.

A new computational model accurately predicts the properties of electrochromic polymers. This DFT/TDDFT approach provides insights into color changes and oxidation processes for advanced materials.

More Related Videos

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

2.7K
Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
08:51

Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core

Published on: October 24, 2017

10.2K

Related Experiment Videos

Last Updated: Feb 26, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

6.0K
Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

2.7K
Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
08:51

Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core

Published on: October 24, 2017

10.2K

Area of Science:

  • Computational chemistry
  • Materials science
  • Polymer science

Background:

  • Electrochromic polymers change color upon oxidation or reduction.
  • Predicting the optical properties of these polymers is crucial for applications.
  • The John Reynolds's group synthesized novel electrochromic polymers.

Purpose of the Study:

  • To develop and validate a computational model for predicting the chemical and optical properties of electrochromic polymers.
  • To understand the electronic transitions and oxidative processes governing color changes in these materials.

Main Methods:

  • Density Functional Theory (DFT) and Time-Dependent DFT (TDDFT) were employed.
  • A specific functional-basis set (mPW1PBE/cc-PVDZ) and conductor-like polarizable continuum model (CPCM) were used.
  • Simulated UV-Vis spectra were compared with experimental data.

Main Results:

  • The computational model showed a strong correlation with experimental UV-Vis spectra (peak maximum difference < 14 nm).
  • Analysis of frontier molecular orbitals and electronic transitions provided insights into the polymers' behavior.
  • Ground-state geometries were evaluated to understand structural aspects.

Conclusions:

  • The developed DFT/TDDFT model is effective for predicting the properties of electrochromic polymers.
  • This work presents the first colorimetric model utilizing this level of theory for such systems.
  • The findings aid in the rational design and application of electrochromic materials.