Spectroscopy of formaldehyde in the 30140-30790cm^-1 range

Room-temperature absorption spectroscopy of formaldehyde has been performed in the 30140-30790cm^-1 range. Using tunable ultraviolet continuous-wave laser light, individual rotational lines are well resolved in the Doppler-broadened spectrum. Making use of genetic algorithms, the main features of the spectrum are reproduced. Spectral data is made available as Supporting Information

High resolution lifetime measurements of the perturbed J’=0 levels of the 1B3u state of pyrazine

The lowest excited singlet 1B3u state of pyrazine is known to be coupled to a number of triplet 3B3u states. Using a strongly collimated molecular beam and a single frequency laser it is shown that the J’=0 of the 000 transition contains at least 36 states. We have individually excited eight of these states and studied its decay. The lifetimes found (typically 450 ns) do not scale with the intensities of the excitation spectrum. This deviation is caused by a nonradiative decay of the zero order 3B3u states. With a simple model it was possible to reconstruct the absorption spectrum, the energies of the zero order states and its coupling strengths. The zero order decay rates of the singlet and triplet states have been determined. The value obtained for the zero order singlet state is 5 MHz; the values for the triplet states range from 0.6 to about 5 MHz

Efficient analysis of highly complex nuclear magnetic resonance spectra of flexible solutes in ordered liquids by using molecular dynamics

The NMR spectra of n-pentane as solute in the liquid crystal 5CB are measured at several temperatures in the nematic phase. Atomistic molecular dynamics simulations of this system are carried out to predict the dipolar couplings of the orientationally ordered pentane, and the spectra predicted from these simulations are compared with the NMR experimental ones. The simulation predictions provide an excellent starting point for analysis of the experimental NMR spectra using the covariance matrix adaptation evolutionary strategy. This shows both the power of atomistic simulations for aiding spectral analysis and the success of atomistic molecular dynamics in modeling these anisotropic systems. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4705271

FAR-UNFIRED SPECTROSCOPY ON OD +

The rotational transition iv = 2 -1 of the OD+ ion in the X 'Z-, o = 0 state has been observed with parttally resolved hyperfine structure. Spectra were recorded using a tunable laser sideband spectrometer. Analysis yielded improved values of rotational constants

A genetic algorithm based determination of the ground and excited ( 1 L b ) state structure and the orientation of the transition dipole moment of benzimidazolew

The structure of benzimidazole has been determined in the electronic ground and excited states using rotationally resolved electronic spectroscopy. The rovibronic spectra of four isotopomers and subsequently the structure of benzimidazole have been automatically assigned and fitted using a genetic algorithm based fitting strategy. The lifetimes of the deuterated isotopomers have been shown to depend on the position of deuteration. The angle of the transition dipole moment with the inertial a-axis could be determined to be À301. Structures and transition dipole moment orientation have been calculated at various levels of theory and were compared to the experimental results

Social inclusion and professional female migrants in multicultural Australia

The goal of the thesis is to scrutinise the experiences of professional female migrants in Australia. The study was undertaken in the context of the emergence of a policy focus on ‘social inclusion’ and ‘social exclusion’ in Australia and elsewhere and in the context of renewed debates in Australia about multiculturalism. Social inclusion refers to a policy focus on enabling the full participation of citizens in the life of the nation, including economic, social, cultural and political participation (Gillard & Wong, 2007). In turn, social exclusion refers to a policy focus on identifying and addressing groups whose participation is constrained, often measured along the dimensions of consumption, production, political engagement, social support and cultural life (see for example, Burchardt, Le Grand, & Piachaud, 2002; Richardson & Le Grand, 2002). This research is interested in testing the relevance of these frameworks for understanding and addressing the experiences of professional female migrants in multicultural Australia. The thesis involved a study of twenty professional female migrants living in Sydney who participated in in-depth interviews. All respondents belonged to a highly skilled occupational group and a prerequisite was that they held a primary professional qualification before migration to Australia. Participants, who were from both English speaking and non-English speaking backgrounds provided detailed narratives of their lives and experiences since migration to Australia, and these narratives provided a window into the specificities of professional female migrants’ perceptions of moving to Australia, settling in Australia and ‘belonging’ in Australia. These insights add to the body of knowledge on migration and social inclusion and exclusion. The research found that the relevance of the dominant social inclusion framework for analysing their migration and settlement experiences is only partial: this is because of the prioritisation of economic participation as a route to social inclusion. The social inclusion framework, consequently, fails to recognise the cultural dimension of social inclusion by assuming that social inclusion in multicultural Australia can be achieved and maintained through the active economic participation of Australian citizens. In addition, the study found that the dominant social inclusion policy framework does not recognise an important aspect of professional female migrants’ identity: transnational relationships and transnational belonging. In terms of the specificities of professional female migrants’ experiences, the thesis proposes a structure for talking about differences in experiences of inclusion that uses measures such as participation in paid work, either in mainstream or in ethno-specific workplaces; participation in social life, either in or in and beyond their own ethnic community; self-perception of being, or not being, included - a dimension that was often based on whether or not they experienced racism. Based on these factors, women’s experiences could be categorised as varying between deep, borderline, marginal and shallow inclusion. The thesis also finds that although social inclusion does not equal assimilation or a transition from being a migrant, social inclusion is possible in the context of ethnic and cultural differences

The absolute value of the quantum yield of the fluorescence of the 1B3u 0–0 state of pyrazine as a function of the rotational quantum numbers

In this paper we fit low‐resolution spectra of pyrazine by assuming Coriolis coupling between S1 and {S0}. Evidence for Coriolis coupling is particularly obvious in the rovibronic spectra of pyrazine‐d3h1 of which we give high resolution examples. For the lowest rotational temperature we noticed a non‐Boltzmann distribution of the J‘=0 ground state, which is probably caused by a bottleneck for ΔJ‘=−2 transitions. Using the lifetimes of molecular eigenstates belonging to P(1) we can calculate the absolute quantum yield of the vibrationless and rotationless 1B3u state. Using this number and the obtained interstate Coriolis coupling rate constants we calculate the variation of the absolute quantum yield across the rotational contour. For low J we get satisfactory agreement with experiments, but for high J our calculations drop off too fast with J. We explain this by the fact that at high J values triplet decay becomes dominant because of K scrambling in the triplet manifold