Severity: Warning
Message: file_get_contents(https://...@gmail.com&api_key=61f08fa0b96a73de8c900d749fcb997acc09): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests
Filename: helpers/my_audit_helper.php
Line Number: 143
Backtrace:
File: /var/www/html/application/helpers/my_audit_helper.php
Line: 143
Function: file_get_contents
File: /var/www/html/application/helpers/my_audit_helper.php
Line: 209
Function: simplexml_load_file_from_url
File: /var/www/html/application/helpers/my_audit_helper.php
Line: 3098
Function: getPubMedXML
File: /var/www/html/application/controllers/Detail.php
Line: 574
Function: pubMedSearch_Global
File: /var/www/html/application/controllers/Detail.php
Line: 488
Function: pubMedGetRelatedKeyword
File: /var/www/html/index.php
Line: 316
Function: require_once
Severity: Warning
Message: Attempt to read property "Count" on bool
Filename: helpers/my_audit_helper.php
Line Number: 3100
Backtrace:
File: /var/www/html/application/helpers/my_audit_helper.php
Line: 3100
Function: _error_handler
File: /var/www/html/application/controllers/Detail.php
Line: 574
Function: pubMedSearch_Global
File: /var/www/html/application/controllers/Detail.php
Line: 488
Function: pubMedGetRelatedKeyword
File: /var/www/html/index.php
Line: 316
Function: require_once
Planar donor-acceptor-donor (D-A-D) organic molecules have been highlighted as promising photothermal agents due to their good light-to-heat conversion ratio, easy degradation, and chemical tunability. Very recently, it has been demonstrated that their photothermal conversion can be boosted by appending rather long alkyl chains. Despite this behavior being tentatively associated with the population of a nonradiative twisted intramolecular charge transfer (TICT) state driven by an intramolecular motion, the precise mechanisms and the role played by the environment, and most notably aggregation, still remain elusive. In this context, we carried out a series of time-dependent density functional theory (TD-DFT) calculations combined with molecular dynamics (MD) simulations to achieve a realistic description of the isolated and aggregated systems. Our theoretical models unambiguously evidence that the population of CT states is very unlikely in both cases, whereas the light-triggered heat dissipation can be ascribed to the activation of specific vibrational degrees of freedom related to the relative motion of the peripheral chains. Overall, our results clearly corroborate the active role played by the alkyl substituents in the photothermal conversion through vibrational motion, while breaking from the conventional picture, which invokes the formation of dark TICT states in loosely packed aggregates.
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Source |
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http://dx.doi.org/10.1021/acs.jpcb.1c03977 | DOI Listing |
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