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We report here investigations on conformational effects in the vibrational and electronic spectra of the propionaldehyde (propanal) molecule using FTIR (600–3200 cm−1) and vacuum ultraviolet (VUV) synchrotron radiation photoabsorption (52 500–85 000 cm−1) spectroscopy respectively. Detailed theoretical calculations (using DFT and TDDFT methodologies) on ground and excited states of the cis and gauche conformers of propanal are performed; a comprehensive spectral analysis of the IR and VUV spectra is presented. A reinvestigation of the IR spectrum reveals several new bands assigned to the gauche conformer based on theoretical calculations. The VUV spectrum exhibits rich Rydberg series structure assigned to ns, np and nd series converging to the first ionization potentials of the two conformers. Earlier assignments of the 3s cis and gauche origins are revised in addition to extending Rydberg series analysis to several higher members. Vibronic bands accompanying the 3s, 4s and 4p Rydberg states are assigned using estimated vibrational frequencies of cis and gauche conformers in the cationic ground state. Simulated potential energy curves of the first few excited states (singlets and triplets) of cis and gauche conformers of propanal help in gaining insights into photodissociation mechanisms and possible conformational effects therein. [ABSTRACT FROM AUTHOR]

Importance of Recruitment and Selection Process for the Organization to Attract & Retain Talent Personality testing, cognitive ability assessments and emotional intelligence tests are all tools that organizations began incorporating into recruitment frameworks to improve the predictability of hiring scenarios. However, this study would help the use of psychological assessment methods in recruitment and selection process to make such techniques economically viable with respect to predicting employee performance, preventing early turnover rate among recruited employees in Maharashtra state. It examines the manner in which these tools are used within multiple industries of Maharashtra and reviews their accuracy, efficacy as well as limitations. The information was collected using interviews with HR professionals and surveys distributed among the candidates who attempted for psychological assessment. What the research shows, when practiced scientifically, the psychological assessments can significantly improve your ability to select candidates who will do well in a role also be cultural fit. The study also focus to contribute in effective training HR employees to use these psychological assessments effectively. The study concludes that while psychological measures have significant potential to enhance hiring outcomes, their effectiveness requires appropriate selection of the psychological assessments used along with standardization and on-going validation efforts. For Maharashtra based enterprises, they should be devising-Role & Industry Specific engagement Assessment Strategies Customized and Training HR professionals on Psychological Assessments relevant to their functions. [ABSTRACT FROM AUTHOR]

The electronic absorption spectrum of N,N-dimethylformamide (DMF) is studied in the 45 000-80 000 cm-1 (5.6-9.9 eV) region using synchrotron radiation. The vacuum ultraviolet (VUV) spectrum comprises mostly of Rydberg series of ns, np, and nd types converging to the first two ionization potentials (IPs). Quantum defect values obtained are consistent with excitation of an electron from the highest occupied molecular orbitals localized on nitrogen (4a″) and oxygen (16a′); in addition, the 3s Rydberg transition converging to the third IP (3a″) is observed at 8.95 eV. A reinvestigation of the infrared spectrum of DMF in the 500-4000 cm-1 region with the help of density functional theory (DFT) calculations establishes the planarity of the ground state and leads to revision of several vibrational assignments. Vertical excited state energies and their valence/Rydberg character are predicted using time dependent DFT calculations; excellent correlation is achieved between theoretical results and experimentally observed spectral features. Potential energy curves of the first few excited states give additional insights into the nature of the excited states and their role in photodissociation dynamics. The absorption spectrum of DMF in the region >63 400 cm-1 (7.85 eV) as well as a complete set of spectral assignments in the VUV region (45 000-80 000 cm-1) is reported for the first time. This work represents a comprehensive study of the absorption spectra of DMF in the VUV and infrared regions. [ABSTRACT FROM AUTHOR]

The electronic absorption spectrum of diiodomethane in the 30 000-95 000 cm-1 region is investigated using synchrotron radiation, the spectrum in the 50 000-66 500 cm-1 region is reported for the first time. The absorption bands in the 30 000-50 000 cm-1 region are attributed to valence transitions, while the vacuum ultraviolet (VUV) spectrum (50 000-95 000 cm-1) is dominated by several Rydberg series converging to the first four ionization potentials of CH2I2 at 9.46, 9.76, 10.21, and 10.56 eV corresponding to the removal of an electron from the outermost 3b2, 2b1, 1a2 , and 4a1 non-bonding orbitals, respectively. Rydberg series of ns, np, and nd type converging to each of the four ionization potentials are assigned based on a quantum defect analysis. Time dependent density functional theory calculations of excited states support the analysis and help in interpretation of the Rydberg and valence nature of observed transitions. Density functional theory calculations of the neutral and ionic ground state geometries and vibrational frequencies are used to assign the observed vibronic structure. Vibronic features accompanying the Rydberg series are mainly due to excitation of the C-I symmetric stretch (v3) and CH2 wag (v8) modes, with smaller contributions from the C-H symmetric stretch (v1). UV absorption bands are assigned to low lying valence states 11B2, 11B1, 21A1, 31A1, 21B1, and 21B2 and the unusually high underlying intensity in parts of the VUV spectrum is attributed to valence states with high oscillator strength. This is the first report of a comprehensive Rydberg series and vibronic analysis of the VUV absorption spectrum of CH2I2 in the 50 000-85 000 cm-1 region. The VUV absorption spectrum of CD212 which serves to verify and consolidate spectral assignments is also reported here for the first time. [ABSTRACT FROM AUTHOR]