Please wait, while we are loading the content...
Please wait, while we are loading the content...
| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Kundi, Varun Thankachan, Pompozhi Protasis |
| Description | Author Affiliation: Kundi V ( Theoretical Chemistry Lab, Department of Chemistry, Indian Institute of Technology Roorkee , Roorkee, Uttarakhand 247667, India.); Thankachan PP ( Theoretical Chemistry Lab, Department of Chemistry, Indian Institute of Technology Roorkee , Roorkee, Uttarakhand 247667, India.) |
| Abstract | The quantum chemical study of one-, two-, and three-photon absorption (1PA, 2PA, and 3PA) properties for a set of compact fluorene derivatives (FD) with combination of different donor and acceptor moieties on both sides of fluorene ring system is presented. The main goal of the study is to pack large two-photon (2P) and three-photon (3P) activity into smallest possible chromophore. Linear, quadratic, and cubic response time-dependent density functional theory was used to calculate 1PA, 2PA, and 3PA properties, respectively. We used CAMB3LYP/cc-pVDZ level of theory for all the property calculations. The 2P and 3P transition probabilities were recalculated using two-state model approach and found to be in good agreement with the response theory results for first excited state. To include the contributions from higher states, the three-state model was also employed to recalculate the 2P transition probabilities and found to be in excellent agreement with response theory. The 2P/3P tensor elements were also analyzed to find reasons behind large 2P/3P activities. All the orbitals involved in transition processes were studied in detail by both molecular orbital pictures (qualitatively) and overlap diagnostic Λ-values (quantitatively). The study reveals that the novel fluorene derivatives FD-12 and FD-13 have shown large 2PA cross-section values of 1100 G.M. and 1030 G.M.; and 3PA transition probabilities of 6.10 × 10(10) a.u. and 4.85 × 10(10) a.u., respectively, for transition S0 â S1. The largest 3PA transition probability of 4.04 × 10(11) a.u. was found with FD-12 for S0 â S2 excitation. The linear relationship between Λ-values and 2PA cross-section values was also studied. |
| ISSN | 10895639 |
| Issue Number | 17 |
| Journal | The Journal of Physical Chemistry A |
| Volume Number | 120 |
| e-ISSN | 15205215 |
| Language | English |
| Publisher | American Chemical Society (United States) |
| Publisher Date | 2016-05-05 |
| Publisher Place | United States |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Physical chemistry |
| Content Type | Text |
| Resource Type | Article |
| Subject | Medicine Physical and Theoretical Chemistry |
National Digital Library of India (NDLI) is a virtual repository of learning resources which is not just a repository with search/browse facilities but provides a host of services for the learner community. It is sponsored and mentored by Ministry of Education, Government of India, through its National Mission on Education through Information and Communication Technology (NMEICT). Filtered and federated searching is employed to facilitate focused searching so that learners can find the right resource with least effort and in minimum time. NDLI provides user group-specific services such as Examination Preparatory for School and College students and job aspirants. Services for Researchers and general learners are also provided. NDLI is designed to hold content of any language and provides interface support for 10 most widely used Indian languages. It is built to provide support for all academic levels including researchers and life-long learners, all disciplines, all popular forms of access devices and differently-abled learners. It is designed to enable people to learn and prepare from best practices from all over the world and to facilitate researchers to perform inter-linked exploration from multiple sources. It is developed, operated and maintained from Indian Institute of Technology Kharagpur.
Learn more about this project from here.
NDLI is a conglomeration of freely available or institutionally contributed or donated or publisher managed contents. Almost all these contents are hosted and accessed from respective sources. The responsibility for authenticity, relevance, completeness, accuracy, reliability and suitability of these contents rests with the respective organization and NDLI has no responsibility or liability for these. Every effort is made to keep the NDLI portal up and running smoothly unless there are some unavoidable technical issues.
Ministry of Education, through its National Mission on Education through Information and Communication Technology (NMEICT), has sponsored and funded the National Digital Library of India (NDLI) project.
| Sl. | Authority | Responsibilities | Communication Details |
|---|---|---|---|
| 1 | Ministry of Education (GoI), Department of Higher Education |
Sanctioning Authority | https://www.education.gov.in/ict-initiatives |
| 2 | Indian Institute of Technology Kharagpur | Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project | https://www.iitkgp.ac.in |
| 3 | National Digital Library of India Office, Indian Institute of Technology Kharagpur | The administrative and infrastructural headquarters of the project | Dr. B. Sutradhar bsutra@ndl.gov.in |
| 4 | Project PI / Joint PI | Principal Investigator and Joint Principal Investigators of the project |
Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon |
| 5 | Website/Portal (Helpdesk) | Queries regarding NDLI and its services | support@ndl.gov.in |
| 6 | Contents and Copyright Issues | Queries related to content curation and copyright issues | content@ndl.gov.in |
| 7 | National Digital Library of India Club (NDLI Club) | Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach | clubsupport@ndl.gov.in |
| 8 | Digital Preservation Centre (DPC) | Assistance with digitizing and archiving copyright-free printed books | dpc@ndl.gov.in |
| 9 | IDR Setup or Support | Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops | idr@ndl.gov.in |
|
Loading...
|