We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
GEOMETRY OPTIMIZATION AND SECOND HARMONIC GENERATION IN PARA-NITROANILINE–DIMETHYL FORMAMIDE ADDUCT.
- Authors
Das, Malyaj; Trivedi, Rashmi; Sen, Pranay K.; Khattak, B. Q.; Shankar, P. Ram; Prasad, Rajendra; Sen, Pratima
- Abstract
Para-nitroaniline(p-NA)–dimethyl formamide (DMF) adduct has been synthesized chemically. The formation of adduct is confirmed via UV, FTIR, CHN analyses and other techniques. The adduct formation takes place due to dipolar interaction and hydrogen bonding. The parent polar molecules, viz. p-NA and DMF, crystallize in symmetric forms and do not exhibit optical second harmonic generation (SHG). The adduct has been found to exhibit a considerable SHG efficiency and hence this confirms that the adduct crystallizes in a noncentrosymmetric form. These observations suggest a Λ-shaped structure of the molecule, which is further established theoretically via geometry optimization.
- Subjects
NONLINEAR optics; AMIDES; MOLECULES; NONMETALS; GEOMETRY
- Publication
Journal of Nonlinear Optical Physics & Materials, 2008, Vol 17, Issue 1, p85
- ISSN
0218-8635
- Publication type
Article
- DOI
10.1142/S0218863508004019