Record Details

Investigation of structure-property correlation in 2, 2′-dipyridyl diselenide based derivatives

Online Publishing @ NISCAIR

View Archive Info
 
 
Field Value
 
Authentication Code dc
 
Title Statement Investigation of structure-property correlation in 2, 2′-dipyridyl diselenide based derivatives
 
Added Entry - Uncontrolled Name PHADNIS, PRASAD P.; Bhabha Atomic Research Centre
 
Uncontrolled Index Term Synthetic and structural inorganic chemistry; Bio-inorganic chemistry;
2, 2′-dipyridyl diselenide; molecular structure; Polymorphism; theoretical calculations; thermal studies
 
Summary, etc. <!-- P { margin-bottom: 0.08in; direction: ltr; color: rgb(0, 0, 0); line-height: 115%; }P.western { font-family: "Calibri",sans-serif; font-size: 11pt; }P.cjk { font-family: "Calibri",sans-serif; font-size: 11pt; }P.ctl { font-family: "Times New Roman",serif; font-size: 11pt; }A:link { color: rgb(0, 0, 255); } --> <p class="western" style="text-indent: 0.5in; margin-bottom: 0in; line-height: 150%;"><span style="font-family: Times New Roman,serif;">Structure<span lang="en-IN">-property correlation in </span>2, 2′-dipyridyl diselenide derivatives has been investigated using four test cases 2, 2′-dipyridyl diselenide (<strong>1</strong>), 2, 2′-disleno bis(3-pyridinol) (<strong>2</strong>), 2, 2′-diseleno bis(3-carboxypyridine) (<strong>3</strong>) and 2, 2′-diselenobis<span lang="en-IN">(</span>3-nicotinamide) (<strong>4</strong>). N<span style="background: #ffffff;">ature of substituent at C-3 position of pyridyl ring has been found to be a key factor in controlling the molecular structure, its packing capacity and thermal stability of molecular assembly.</span> Strong electron withdrawing group (<em>viz. -COOH, -CONH</em><sub><em>2</em></sub>) reduces the charge on selenium and enforces <em>sp</em><sup><em>2</em></sup> hybridization induced planar molecular configuration. Bent molecules <strong>1 </strong>and<strong> 2</strong> favors denser crystallographic packing in comparison to planar molecule <strong>3 </strong>and<strong> 4</strong>. Thermal investigation reveal that temperature range for thermal decomposition to elemental selenium for <strong>4</strong> and <strong>2</strong> is 210-460°C and 150-275°C respectively indicating higher thermal stability of former. The higher thermal stability of <strong>4</strong> has been attributed to secondary intermolecular interactions with the entrapped solvent molecule in the molecular lattice, which is not the case for <strong>2</strong>. Thus <span style="background: #ffffff;">C-3 position of pyridyl ring of </span>dipyridyl diselenide derivatives can be adopted as one of the focus points for the future drug designing process.</span></p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section A (IJCA)
2020-10-12 14:00:53
 
Electronic Location and Access application/pdf
http://op.niscair.res.in/index.php/IJCA/article/view/22868
 
Data Source Entry Indian Journal of Chemistry -Section A (IJCA); ##issue.vol## 58, ##issue.no## 1 (2019): INDIAN JOURNAL OF CHEMISTRY- SECTION A
 
Language Note en
 
Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJCA/article/download/22868/465471578
http://op.niscair.res.in/index.php/IJCA/article/download/22868/465471579
http://op.niscair.res.in/index.php/IJCA/article/download/22868/465471580
http://op.niscair.res.in/index.php/IJCA/article/download/22868/465473826
http://op.niscair.res.in/index.php/IJCA/article/download/22868/465473847
 
Terms Governing Use and Reproduction Note Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India© 2015. The Council of Scientific &amp; Industrial Research, New Delhi.