{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,25]],"date-time":"2025-02-25T05:29:20Z","timestamp":1740461360534,"version":"3.37.3"},"reference-count":0,"publisher":"IOS Press","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2011]]},"abstract":"<jats:p>Ab-initio finite field SCF calculations with split valence double zeta basis set indicate that 9, 10- donor-acceptor substituted anthracene derivatives have large quadratic hyperpolarizabilities for suitable combinations of donor and acceptor moieties. A difference in the first hyperpolarizabilities (&amp;beta;total) of isomeric organic chromophores containing the same donor and acceptor groups indicate the possible role of intramolecular charge transfer (ICT) in shaping the NLO response in these &amp;pi;-conjugated molecular chromophores. A correlation is sought to be established among calculated (&amp;beta;total) on one hand and the donor strength, the strength of the acceptor, donor-acceptor interaction and the donor-acceptor separation, on the other by using Genetic Algorithm (GA) to search through the relevant parameter space. It appears that (&amp;beta;total) of a molecule is dominantly determined by additive contributions from the donors and the acceptors. The results might be helpful in designing new NLO materials using the bichromophoric anthracene derivatives.<\/jats:p>","DOI":"10.3233\/978-1-60750-742-0-55","type":"book-chapter","created":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T13:38:32Z","timestamp":1740404312000},"source":"Crossref","is-referenced-by-count":0,"title":["Exploring NLO response of 9,10-donor-acceptor substituted Bichromophoric Anthracene Derivatives"],"prefix":"10.3233","author":[{"family":"Misra Ramprasad","sequence":"additional","affiliation":[]},{"family":"Sharma Rahul","sequence":"additional","affiliation":[]},{"family":"Bhattacharyya S.P.","sequence":"additional","affiliation":[]}],"member":"7437","container-title":["Atomic and Molecular Nonlinear Optics: Theory, Experiment and Computation"],"original-title":[],"deposited":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T13:44:19Z","timestamp":1740404659000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.medra.org\/servlet\/aliasResolver?alias=iospressISBN&isbn=978-1-60750-741-3&spage=55"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011]]},"references-count":0,"URL":"https:\/\/doi.org\/10.3233\/978-1-60750-742-0-55","relation":{},"subject":[],"published":{"date-parts":[[2011]]}}}