No presente trabalho de pesquisa foram analisadas diferentes estratÃgias avaliativas com vistas à anÃlise da aprendizagem escolar em quÃmica orgÃnica, especificamente dos conteÃdos: propriedades e classificaÃÃo dos carbonos, classificaÃÃo das cadeias carbÃnicas, nomenclatura de compostos orgÃnicos e isomeria. AtravÃs de anÃlises quantitativas e qualitativas foi possÃvel aplicar diversificados mÃtodos avaliativos. Entre os mÃtodos analisados de avaliaÃÃo geralmente utilizados no ensino mÃdio destacam-se as provas com questÃes de mÃltipla escolha e com questÃes abertas. A aplicaÃÃo dessas metodologias representam uma anÃlise coerente da aprendizagem dos conteÃdos curriculares estabelecidos pelas Diretrizes Curriculares Nacionais do Ensino MÃdio, pois o estudante deve apresentar conhecimentos prÃvios acerca das temÃticas, alÃm de estimular o estudo prÃvio. Utilizou-se a dramatizaÃÃo sobre temÃticas da quÃmica orgÃnica, como as funÃÃes orgÃnicas e quÃmica ambiental, nos quais, os estudantes participantes da pesquisa expressaram-se atravÃs de peÃas teatrais utilizando as artes cÃnicas como forma de expressÃo, alÃm de representarem os efeitos nocivos das drogas e relacionÃ-los com o conhecimento curricular das funÃÃes aminas. Todas as apresentaÃÃes foram documentadas em vÃdeo para anÃlises posteriores. Foi proposto tambÃm a utilizaÃÃo de seminÃrios como procedimento avaliativo, onde os educandos puderam expressar temÃticas diferenciadas divididas em grupos. Os alunos tambÃm realizaram a criaÃÃo de histÃrias em quadrinhos sobre assuntos da quÃmica orgÃnica, anÃlises das disposiÃÃes das falas e sua relaÃÃo com o tema proposto e a consistÃncia do conhecimento quÃmico foram os critÃrios fundamentais que foram elencados para atribuiÃÃo de notas. Em cada mÃtodo de exame, foi realizado um levantamento das notas obtidas em cada procedimento avaliativo. Percebe-se que a avaliaÃÃo da aprendizagem ultrapassa a simples atribuiÃÃo de notas ao desempenho dos estudantes, pois nem sempre os valores atribuÃdos repercutem em efetiva aprendizagem. A produÃÃo textual tambÃm foi uma metodologia de avaliaÃÃo aplicada aos estudantes da turma pesquisada. Foi proposto que eles elaborassem um relatÃrio de prÃticas sobre o estudo dos Ãsteres e sua reaÃÃo com hipoclorito de sÃdio. Logo apÃs a experiÃncia realizada no laboratÃrio interdisciplinar de ciÃncias da escola, foi proposto aos educandos a elaboraÃÃo individual de um relatÃrio da prÃtica e feita uma anÃlise de aspectos como a escrita sobre o tema e anÃlise dos resultados e discussÃes com os elementos inerentes a metodologia cientÃfica. / In this research work were analyzed different evaluative strategies for the assessment of school learning in organic chemistry, specifically the contents: properties and classification of carbon, classification of carbon chains, naming organic compounds and isomerism. Through quantitative and qualitative analysis it was possible to apply diverse evaluation methods. Among the methods analyzed evaluation generally used in high school there are the tests with multiple choice questions and open questions. The application of these methodologies represent a coherent analysis of learning curricula established by the National Curriculum Guidelines for Secondary Education, for the student must submit prior knowledge of the subject, besides stimulating the previous study. We used the drama on topics of organic chemistry, such as bodily functions and environmental chemistry, in which the survey participants-students expressed through plays using the performing arts as a means of expression, besides representing the harmful effects of drugs and relate them to the curricular knowledge of amine functions. All presentations were documented on video for later analysis. It was also proposed the use of seminars as evaluation procedure where the students could express different themes divided into groups. Students also made the creation of comic books on subjects of organic chemistry, analysis of the provisions of the talks and their relation to the theme and the consistency of the chemical knowledge were the key criteria that were listed for grading. In each test method, a survey was conducted of the marks obtained in each evaluation procedure. It is noticed that the assessment of learning goes beyond simply assigning grades to student performance, because not always the assigned values resonate with effective learning. The text production was also a valuation methodology applied to students of the searched class. It was proposed that they prepare a report on the practical study of esters and their reaction with sodium hypochlorite. Soon after the experiment conducted in the interdisciplinary lab school science, it was proposed to students the individual elaboration of a practice report and an analysis of aspects such as writing on the subject and analyzing the results and discussions with inherent scientific methodology elements.

The mechanisms of the sublimation of graphene at zero pressure and the condensation of carbon vapor is investigated by molecular dynamics (MD) simulations. The interatomic interactions are described by the Reactive Empirical Bond Order potential (REBO). It is found that graphene sublimates at a temperature of 5,200 K. At the onset of sublimation, defects that contain several pentagons and heptagons are formed, that are shown to evolve from double vacancies and stone wales defects. These defects consisting of pentagons and heptagons act as nucleation sites for the gaseous phase. The influence of the interatomic interactions on the sublimation process are also investigated by comparing the results using the REBO potential with the Screened Environment Dependent (SED)-REBO potential. Two-dimensional MD simulations are also performed, and it is found that graphene melts at a much higher temperature and forms many more point defects than in three dimensions. It is also observed that carbon chains make up the two-dimensional molten state. The isothermal equation of state of gaseous and liquid carbon, as well as the coexistence of the two phases is calculated at 6,000 K and up to a few GPa. The analysis shows that the material that forms immediately following the phase transformation in graphene is actually a coexistence of liquid and gaseous phases, but it is primarily two-fold coordinated, so it is mostly a gas, hence the identification of the phase transformation as sublimation. The coexistence pressure for liquid and gaseous carbon is found using the Maxwell Construction to be 0.0365 GPa at 6,000 K. It was previously believed that carbon vapor consists exclusively of carbon chains. We find that under compression, at a pressure lower than the coexistence pressure, carbon vapor develops a small amount (6 %) of sp2 bonds indicating a slight non-chain bonding character. The diffusion coefficient of this dense gas is calculated to be in between that of the liquid and gaseous phases.

ANDRADE, Nádia Ferreira de. Propriedades vibracionais e estruturais de cadeias lineares de carbono. 2014. 213 f. Tese (Doutorado em Física) - Programa de Pós-Graduação em Física, Departamento de Física, Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2014. / Submitted by Edvander Pires (edvanderpires@gmail.com) on 2016-01-05T19:46:56Z No. of bitstreams: 1 2014_tese_nfandrade.pdf: 12228920 bytes, checksum: 9f6aef6ce2c60c7d88f7ecb59b39e43f (MD5) / Approved for entry into archive by Edvander Pires(edvanderpires@gmail.com) on 2016-01-05T19:55:18Z (GMT) No. of bitstreams: 1 2014_tese_nfandrade.pdf: 12228920 bytes, checksum: 9f6aef6ce2c60c7d88f7ecb59b39e43f (MD5) / Made available in DSpace on 2016-01-05T19:55:18Z (GMT). No. of bitstreams: 1 2014_tese_nfandrade.pdf: 12228920 bytes, checksum: 9f6aef6ce2c60c7d88f7ecb59b39e43f (MD5) Previous issue date: 2014 / We present a study of linear carbon chains encapsulated in multi-wall carbon nanotubes (Cn@MWCNT) using electron microscopy and Raman spectroscopy in ambient and extreme conditions. The linear chains were characterized by resonance Raman, thermal analysis, ion bombardment and using high resolution and scanning transmission electron microscopy. The HRTEM images obtained here shown the chain within the innermost MWCNT and in this work we obtain the first image of ``cross-section$"$ described for this system Cn@MWCNT. A Raman experiment was carried out in high pressure conditions (from 0 to 9.54 GPa) using a paraffin oil as pressure transmitting medium.The G band frequency of nanotube increase as pressure increase while the C-C stretching mode of linear carbon chain decreases. Theoretical results based on atomistic simulations allowed an understanding of vibrational behavior of the chains. Furthermore, we conducted works that involved instrumentation in order to set in the Department of Physics of the Federal University of Ceara, the instrumentation needed for the development of a device that enables to perform Raman spectroscopy and AFM measurements. For this purpose is necessary to integrate a scan-head, a controller system that controls the probe scan-head and an optical system that communicates with an APD (avalanche photodiode device), responsible for carrying the images with a spectrometer dedicated for obtaining Raman spectra. The system is functional as regards the ability to perform confocal measurements and ready for setting the near field measurements. / Apresentamos um estudo de cadeias lineares de carbono encapsuladas em nanotubos de carbono de paredes múltiplas (Cn@MWCNT) utilizando microscopia eletrônica e espectroscopia Raman em condições ambientes e extremas. As cadeias lineares foram caracterizadas por espectroscopia Raman ressonante, análise térmica, bombardeamento de íons e com microscopia eletrônica de transmissão. As imagens de alta resolução aqui obtidas mostraram a presença das cadeias dentro do tubo mais interno do MWCNT e neste trabalho obtivemos a primeira imagem de "seção transversal" descrita na literatura para um sistema deste tipo. Um experimento Raman foi conduzido em condições de altas pressões (0 - 9,54 GPa), utilizando um óleo de parafina como meio transmissor de pressão. A frequência da banda G dos nanotubos aumentou com o aumento da pressão enquanto o modo de estiramento C-C das cadeias de carbono lineares diminuiu. Resultados teóricos baseados em simulações atomísticas permitiram uma compreensão do comportamento vibracional da cadeia. Além disso, realizamos trabalhos que envolveram instrumentação afim de instalar no Departamento de Física da Universidade Federal do Ceará toda a instrumentação necessária para o desenvolvimento de um equipamento que permite realizar espectroscopia Raman e medidas de microscopia de força atômica (AFM). Para isto, é necessário integrar uma "scan-head", um sistema controlador que controla a sonda da "scan-head" e um sistema óptico que se comunica com uma APD (dispositivo fotodiodo avalanche) responsável pela aquisição das imagens, com um espectrômetro dedicado à obtenção dos espectros Raman. O sistema ficou funcional no que diz respeito a capacidade de executar medidas confocal e está pronto para a realização de medidas de campo próximo.

ANDRADE, Nádia Ferreira de. Propriedades vibracionais e estruturais de cadeias lineares de carbono. 2015. 213 f. Tese (Doutorado em Física) - Programa de Pós-Graduação em Física, Departamento de Física, Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2015. / Submitted by Edvander Pires (edvanderpires@gmail.com) on 2015-10-26T18:07:30Z No. of bitstreams: 1 2015_tese_nfandrade.pdf: 12228920 bytes, checksum: 9f6aef6ce2c60c7d88f7ecb59b39e43f (MD5) / Approved for entry into archive by Edvander Pires(edvanderpires@gmail.com) on 2015-10-26T18:14:26Z (GMT) No. of bitstreams: 1 2015_tese_nfandrade.pdf: 12228920 bytes, checksum: 9f6aef6ce2c60c7d88f7ecb59b39e43f (MD5) / Made available in DSpace on 2015-10-26T18:14:26Z (GMT). No. of bitstreams: 1 2015_tese_nfandrade.pdf: 12228920 bytes, checksum: 9f6aef6ce2c60c7d88f7ecb59b39e43f (MD5) Previous issue date: 2015 / We present a study of linear carbon chains encapsulated in multi-wall carbon nanotubes (Cn@MWCNT) using electron microscopy and Raman spectroscopy in ambient and extreme conditions. The linear chains were characterized by resonance Raman, thermal analysis, ion bombardment and using high resolution and scanning transmission electron microscopy. The HRTEM images obtained here shown the chain within the innermost MWCNT and in this work we obtain the first image of ``cross-section$"$ described for this system Cn@MWCNT. A Raman experiment was carried out in high pressure conditions (from 0 to 9.54 GPa) using a paraffin oil as pressure transmitting medium.The G band frequency of nanotube increase as pressure increase while the C-C stretching mode of linear carbon chain decreases. Theoretical results based on atomistic simulations allowed an understanding of vibrational behavior of the chains. Furthermore, we conducted works that involved instrumentation in order to set in the Department of Physics of the Federal University of Ceara, the instrumentation needed for the development of a device that enables to perform Raman spectroscopy and AFM measurements. For this purpose is necessary to integrate a scan-head, a controller system that controls the probe scan-head and an optical system that communicates with an APD (avalanche photodiode device), responsible for carrying the images with a spectrometer dedicated for obtaining Raman spectra. The system is functional as regards the ability to perform confocal measurements and ready for setting the near field measurements. / Apresentamos um estudo de cadeias lineares de carbono encapsuladas em nanotubos de carbono de paredes múltiplas (Cn@MWCNT) utilizando microscopia eletrônica e espectroscopia Raman em condições ambientes e extremas. As cadeias lineares foram caracterizadas por espectroscopia Raman ressonante, análise térmica, bombardeamento de íons e com microscopia eletrônica de transmissão. As imagens de alta resolução aqui obtidas mostraram a presença das cadeias dentro do tubo mais interno do MWCNT e neste trabalho obtivemos a primeira imagem de "seção transversal" descrita na literatura para um sistema deste tipo. Um experimento Raman foi conduzido em condições de altas pressões (0 - 9,54 GPa), utilizando um óleo de parafina como meio transmissor de pressão. A frequência da banda G dos nanotubos aumentou com o aumento da pressão enquanto o modo de estiramento C-C das cadeias de carbono lineares diminuiu. Resultados teóricos baseados em simulações atomísticas permitiram uma compreensão do comportamento vibracional da cadeia. Além disso, realizamos trabalhos que envolveram instrumentação afim de instalar no Departamento de Física da Universidade Federal do Ceará toda a instrumentação necessária para o desenvolvimento de um equipamento que permite realizar espectroscopia Raman e medidas de microscopia de força atômica (AFM). Para isto, é necessário integrar uma "scan-head", um sistema controlador que controla a sonda da "scan-head" e um sistema óptico que se comunica com uma APD (dispositivo fotodiodo avalanche) responsável pela aquisição das imagens, com um espectrômetro dedicado à obtenção dos espectros Raman. O sistema ficou funcional no que diz respeito a capacidade de executar medidas confocal e está pronto para a realização de medidas de campo próximo.

Conselho Nacional de Desenvolvimento CientÃfico e TecnolÃgico / We present a study of linear carbon chains encapsulated in multi-wall carbon nanotubes (Cn@MWCNT) using electron microscopy and Raman spectroscopy in ambient and extreme conditions. The linear chains were characterized by resonance Raman, thermal analysis, ion bombardment and using high resolution and scanning transmission electron microscopy. The HRTEM images obtained here shown the chain within the innermost MWCNT and in this work we obtain the first image of ``cross-section$"$ described for this system Cn@MWCNT. A Raman experiment was carried out in high pressure conditions (from 0 to 9.54 GPa) using a paraffin oil as pressure transmitting medium.The G band frequency of nanotube increase as pressure increase while the C-C stretching mode of linear carbon chain decreases. Theoretical results based on atomistic simulations allowed an understanding of vibrational behavior of the chains. Furthermore, we conducted works that involved instrumentation in order to set in the Department of Physics of the Federal University of Ceara, the instrumentation needed for the development of a device that enables to perform Raman spectroscopy and AFM measurements. For this purpose is necessary to integrate a scan-head, a controller system that controls the probe scan-head and an optical system that communicates with an APD (avalanche photodiode device), responsible for carrying the images with a spectrometer dedicated for obtaining Raman spectra. The system is functional as regards the ability to perform confocal measurements and ready for setting the near field measurements. / Apresentamos um estudo de cadeias lineares de carbono encapsuladas em nanotubos de carbono de paredes mÃltiplas (Cn@MWCNT) utilizando microscopia eletrÃnica e espectroscopia Raman em condiÃÃes ambientes e extremas. As cadeias lineares foram caracterizadas por espectroscopia Raman ressonante, anÃlise tÃrmica, bombardeamento de Ãons e com microscopia eletrÃnica de transmissÃo. As imagens de alta resoluÃÃo aqui obtidas mostraram a presenÃa das cadeias dentro do tubo mais interno do MWCNT e neste trabalho obtivemos a primeira imagem de "seÃÃo transversal" descrita na literatura para um sistema deste tipo. Um experimento Raman foi conduzido em condiÃÃes de altas pressÃes (0 - 9,54 GPa), utilizando um Ãleo de parafina como meio transmissor de pressÃo. A frequÃncia da banda G dos nanotubos aumentou com o aumento da pressÃo enquanto o modo de estiramento C-C das cadeias de carbono lineares diminuiu. Resultados teÃricos baseados em simulaÃÃes atomÃsticas permitiram uma compreensÃo do comportamento vibracional da cadeia. AlÃm disso, realizamos trabalhos que envolveram instrumentaÃÃo afim de instalar no Departamento de FÃsica da Universidade Federal do Cearà toda a instrumentaÃÃo necessÃria para o desenvolvimento de um equipamento que permite realizar espectroscopia Raman e medidas de microscopia de forÃa atÃmica (AFM). Para isto, à necessÃrio integrar uma "scan-head", um sistema controlador que controla a sonda da "scan-head" e um sistema Ãptico que se comunica com uma APD (dispositivo fotodiodo avalanche) responsÃvel pela aquisiÃÃo das imagens, com um espectrÃmetro dedicado à obtenÃÃo dos espectros Raman. O sistema ficou funcional no que diz respeito a capacidade de executar medidas confocal e està pronto para a realizaÃÃo de medidas de campo prÃximo.

Initiated with the purpose of assigning the Fraunhofer lines in the solar spectrum to atomic transitions in the 18th century, the collaboration between spectroscopists and astrophysicists has remained fruitful, successful and ever fascinating. This collaboration has resulted in the unique detection of over 200 different molecular species in the interstellar medium (ISM). These interstellar molecular species play significant roles in diverse fields such as atmospheric chemistry, astrochemistry, prebiotic chemistry, astrophysics, astronomy, astrobiology, etc, and in our understanding of the solar system ''the world around us''. This Thesis work focuses on understanding of the different aspects of the chemistry of the various classes of these molecular species. Chapter one starts with an historical perspective of what is now regarded as Molecular Astrophysics or Astrochemistry and discusses the interstellar medium and its properties; interstellar molecular species and their importance; molecular spectroscopy as an indispensible tool in interstellar chemistry and the different formation routes of these molecular species. It also discusses hydrogen bonding which is one of the most important of all the intermolecular interactions. The chapter ends by setting the stage for the present investigations. The chapter two of the Thesis saddled with the task of describing the methodology employed in this Thesis begins by setting the stage on the importance of computational chemistry in interstellar chemistry. It discusses the Gaussian 09 suite of programs and the various theoretical methods used in all the quantum chemical calculations reported in this Thesis. The chapter ends with a brief summary on the homebuilt Pulsed Nozzle Fourier Transform Microwave (PN-FTMW) spectrometer used for the preliminary studies on Isoprene...Argon weakly bound complex reported in the appendix. After the introductory chapters, chapter three begins with what is unarguably one of the most important classes of interstellar molecular species - 'interstellar isomers'. In this chapter, the Energy, Stability and Abundance (ESA) relationship existing among interstellar molecular species has been firmly established using accurate thermochemical parameters obtained with the composite models and reported observational data. From the relationship, “Interstellar abundances of related species are directly proportional to their stabilities in the absence of the effect of interstellar hydrogen bonding”. The immediate consequences of the relationship in addressing some of the questions in interstellar chemistry such as: Where are Cyclic Interstellar Molecules? What are the possible candidates for astronomical observation? Why are more Interstellar Cyanides than isocyanides? among others are briefly discussed. Following the ESA relationship, other studies addressing some of the whys and wherefores in interstellar chemistry are discussed in details. From ESA relationship, though there has not been any successful astronomical observation of any heterocycle, the ones so far searched remain the best candidates for astronomical observation in their respective isomeric groups. The observation of the first branched chain molecule in ISM is in agreement with the ESA relationship and the C5H9N isomers have been shown to contain potential branched chain interstellar molecules. That molecules with the C-C-O backbone have less potential of formation in ISM as compared to their counterparts with the C-O-C backbone has been demonstrated not to be true following the ESA relationship. A detailed investigation on the relationship between molecular partition function and astronomical detection of isomeric species (or related molecules) shows that there is no direct correlation between the two rather there is a direct link between the thermodynamic stability of the isomeric species (or related molecules) and their interstellar abundances which influences the astronomical observation of some isomers at the expense of others. Chapter four presents an interesting and a fascinating phenomenon among the interstellar molecular species as it discusses for the first time, the existence and effects of Interstellar Hydrogen Bonding. This interstellar hydrogen bonding is shown to be responsible for the deviations from thermodynamically controlled processes, delayed observation of the most stable isomers, unsuccessful observations of amino acids among other happenings in interstellar chemistry and related areas. On the prediction that ketenes are the right candidates for astronomical searches among their respective isomers, a ketenyl radical; HCCO has recently been detected in line with this prediction. The deviation from the rule that the ratio of an interstellar sulphur molecule to its oxygen analogue is close to the cosmic S/O ratio is well accounted for on the basis of hydrogen bonding on the surface of the dust grains. Detecting weakly bound complexes in ISM has not been a major interest in the field so far but the detectability of weakly bound complexes in ISM is very possible as discussed in this chapter. Following the conditions in which these complexes are observed in the terrestrial laboratory as compared to the ISM conditions; it suffices to say that weakly bound complexes are present and are detectable in ISM. They could even account for some of the 'U' lines. Chapter five of the Thesis discusses the Linear Interstellar Carbon Chains which are the dominant theme in interstellar chemistry accounting for over 20% of all the known interstellar and circumstellar molecular species. Accurate spectroscopic parameters within experimental accuracy of few kHz which are the indispensable tools for the astronomical observation of these molecular species; are obtained for over 200 different species from the various chains using an inexpensive combined experimental and theoretical approach. With the availability of the spectroscopic parameters; thermodynamics is utilized in accounting for the known systems and in examining the right candidates for astronomical searches. These molecular species are shown to also obey the ESA relationship observed for the isomeric species discussed in chapter three of this work. The effect of kinetics on the formation processes of these molecular species is well controlled by thermodynamics as discussed in this chapter. Finally, the application of these studies in reducing the 'U' lines and probing new molecular species has been briefly summarized. Chapter six discusses Interstellar Ions and Isotopologues which are two unique classes of interstellar molecular species. Different studies on interstellar ions and isotopologues are presented. From the studies on interstellar protonated species with over 100 molecular species; protonated species resulting from a high proton affinity prefers to remain protonated rather than transferring a proton and returning to its neutral form as compared to its analogue that gives rise to a lower proton affinity from the same neutral species. The studies on detectable interstellar anions account for the known interstellar anions and predict members of the C2nO-, C2nS-, C2n-1Si-, HC2nN-, CnP-, and C2n chains as outstanding candidates for astronomical observation including the higher members of the C2nH- and C2n-1N- groups whose lower members have been observed. From high level ab initio quantum chemical calculations; ZPE and Boltzmann factor have been used to explain the observed deuterium enhancement and the possibility of detecting more deuterated species in ISM. Though all the heterocycles that have so far been searched for in ISM have been shown to be the right candidates for astronomical observation as discussed in the ESA relationship, they have also been shown to be strongly bonded to the surface of the interstellar dust grains thereby reducing their abundances, thus, contributing to their unsuccessful detection except for furan which is less affected by hydrogen bonding. The D-analogues of the heterocycles are shown from the computed Boltzmann factor to be formed under the dense molecular cloud conditions where major deuterium fractionation dominates implying very high D/H ratio above the cosmic D/H ratio which suggests the detectability of these deuterated species. Chapter seven examines the isomerization of the most stable isomer (which is probably the most abundant) to the less stable isomer(s) as one of the plausible formation routes for interstellar molecular species. An extensive investigation on the isomerization enthalpies of 243 molecular species from 64 isomeric groups is reported. From the results, the high abundances of the most stable isomers coupled with the energy sources in interstellar medium drive the isomerization process even for relative enthalpy difference as high as 67.4 kcal/mol. Specifically, the cyanides and their corresponding isocyanides pairs appear to be effectively synthesized via this process. The following potential interstellar molecules; CNC, NCCP, c-C5H, methylene ketene, methyl Ketene, CH3SCH3, C5O, 1,1-ethanediol, propanoic acid, propan-2-ol and propanol are identified and discussed. In all the isomeric groups, isomerization appears to be an effective route for the formation of the less stable isomers (which are probably less abundant) from the most stable ones. Chapter eight summarizes the conclusions drawn from the different studies presented in this Thesis and also highlights some of the future directions of these studies. The first appendix presents the preliminary study on Isoprene...Ar weakly bound complex while the second appendix contains a study on interstellar C3S describing the importance of accurate dipole moment in calculating interstellar abundances of molecular species and in astrophysical and astronomical models.