Shiv Nadar University

About: Shiv Nadar University is a education organization based out in Dadri, Uttar Pradesh, India. It is known for research contribution in the topics: Population & Graphene. The organization has 1015 authors who have published 1924 publications receiving 18420 citations.

Relative orientation of the carbonyl groups determines the nature of orbital interactions in carbonyl–carbonyl short contacts

Abstract: Carbonyl-carbonyl (CO···CO) interactions are emerging noncovalent interactions found in many small molecules, polyesters, peptides and proteins. However, little is known about the effect of the relative orientation of the two carbonyl groups on the nature of these interactions. Herein, we first show that simple homodimers of acetone and formaldehyde can serve as models to understand the effect of relative orientations of the two carbonyl groups on the nature of CO···CO interactions. Further, from a comprehensive statistical analysis of molecules having inter- or intramolecular CO···CO interactions, we show that the molecules can be broadly categorized into six different structural motifs (I-VI). The analysis of pyramidality of the acceptor carbon atoms in these motifs and natural bond orbital (NBO) analysis suggest that the relative orientation of the two interacting carbonyl groups determines whether the orbital interaction between the two carbonyl groups would be n → π* or π → π* or a combination of both.

Seasonal variation of surface and vertical profile of aerosol properties over a tropical urban station Hyderabad, India

Abstract: [1] One year measurement of vertical profiles of volume backscatter and extinction coefficient, aerosol optical depth (AOD), mass concentration of black carbon (BC) and composite aerosol along with thermodynamic structure of the atmosphere has been carried out over an urban tropical location of Hyderabad(17.47°N, 78.58°E), India, during April 2009 to March 2010. The mean mixing layer height (MLH) exhibits large seasonality exceeding 4 km in pre-monsoon period whereas in winter it comes down to ~1.5 km with an annual mean value of 2.35 ± 1.02 km. Surface BC mass fraction (FBC) shows marked seasonal variation from winter (13 ± 1.9%), pre-monsoon (8.19 ± 2.16%), monsoon (7.3 ± 1.8%) to post-monsoon (11.8 ± 0.18%). The profiles of volume backscatter and extinction coefficients reveal presence of elevated aerosol layers from 2 to 4 km and strong oscillations during pre-monsoon (March–May) and monsoon (June–September) seasons, respectively, while in post-monsoon (October–November) and winter (December–February), the aerosols are well within the lower boundary layer and also exhibit a drastic decrease with increasing altitude. These elevated aerosol layers and vertical distribution appear to be closely linked to the thermodynamic structure of the atmosphere. The aerosol optical properties in conjunction with air mass back trajectory analysis indicate that the observed elevated aerosol layers during pre-monsoon and monsoon could contain significant fraction of coarse mode particles with a mix of dust and marine aerosols. Further analysis reveals that the aerosols within atmospheric boundary layer (ABL) dominate the column aerosol loading with ABL-AOD contributing to ~77.7 ± 17.0%, with significant seasonal variation from winter (86.2 ± 13.1%), pre-monsoon (76.6 ± 12.8%), monsoon (54.2 ± 15.6%) to post monsoon (80.8 ± 14.8%). Seasonal variation of ABL-AOD and BC mass fraction follows similar pattern in the ABL indicating that BC may be an important contributor to the ABL aerosol loading.